@article{DinevaPearsonIlyinetal.2022,
  author    = {Dineva, Ekaterina Ivanova and Pearson, Jeniveve and Ilyin, Ilya and Verma, Meetu and Diercke, Andrea and Strassmeier, Klaus and Denker, Carsten},
  title     = {Characterization of chromospheric activity based on Sun-as-a-star spectral and disk-resolved activity indices},
  series = {Astronomische Nachrichten = Astronomical notes},
  volume    = {343},
  journal   = {Astronomische Nachrichten = Astronomical notes},
  number    = {5},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0004-6337},
  doi       = {10.1002/asna.20223996},
  pages     = {23},
  year      = {2022},
  abstract  = {The strong chromospheric absorption lines Ca ii H \& K are tightly connected to stellar surface magnetic fields. Only for the Sun, spectral activity indices can be related to evolving magnetic features on the solar disk. The Solar Disk-Integrated (SDI) telescope feeds the Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI) of the Large Binocular Telescope (LBT) at Mt. Graham International Observatory, Arizona, U.S.A. We present high-resolution, high-fidelity spectra that were recorded on 184 \& 82 days in 2018 \& 2019 and derive the Ca ii H \& K emission ratio, that is, the S-index. In addition, we compile excess brightness and area indices based on full-disk Ca ii K-line-core filtergrams of the Chromospheric Telescope (ChroTel) at Observatorio del Teide, Tenerife, Spain and full-disk ultraviolet (UV) 1600 angstrom images of the Atmospheric Imaging Assembly (AIA) onboard the Solar Dynamics Observatory (SDO). Thus, Sun-as-a-star spectral indices are related to their counterparts derived from resolved images of the solar chromosphere. All indices display signatures of rotational modulation, even during the very low magnetic activity in the minimum of Solar Cycle 24. Bringing together different types of activity indices has the potential to join disparate chromospheric datasets yielding a comprehensive description of chromospheric activity across many solar cycles.},
  language  = {en}
}
@article{KaaSternemannAppeletal.2022,
  author    = {Kaa, Johannes M. and Sternemann, Christian and Appel, Karen and Cerantola, Valerio and Preston, Thomas R. and Albers, Christian and Elbers, Mirko and Libon, Lelia and Makita, Mikako and Pelka, Alexander and Petitgirard, Sylvain and Pl{\"u}ckthun, Christian and Roddatis, Vladimir and Sahle, Christoph J. and Spiekermann, Georg and Schmidt, Christian and Schreiber, Anja and Sakrowski, Robin and Tolan, Metin and Wilke, Max and Zastrau, Ulf and Konopkova, Zuzana},
  title     = {Structural and electron spin state changes in an x-ray heated iron carbonate system at the Earth's lower mantle pressures},
  series = {Physical review research},
  volume    = {4},
  journal   = {Physical review research},
  number    = {3},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2643-1564},
  doi       = {10.1103/PhysRevResearch.4.033042},
  pages     = {9},
  year      = {2022},
  abstract  = {The determination of the spin state of iron-bearing compounds at high pressure and temperature is crucial for our understanding of chemical and physical properties of the deep Earth. Studies on the relationship between the coordination of iron and its electronic spin structure in iron-bearing oxides, silicates, carbonates, iron alloys, and other minerals found in the Earth's mantle and core are scarce because of the technical challenges to simultaneously probe the sample at high pressures and temperatures. We used the unique properties of a pulsed and highly brilliant x-ray free electron laser (XFEL) beam at the High Energy Density (HED) instrument of the European XFEL to x-ray heat and probe samples contained in a diamond anvil cell. We heated and probed with the same x-ray pulse train and simultaneously measured x-ray emission and x-ray diffraction of an FeCO3 sample at a pressure of 51 GPa with up to melting temperatures. We collected spin state sensitive Fe K beta(1,3) fluorescence spectra and detected the sample's structural changes via diffraction, observing the inverse volume collapse across the spin transition. During x-ray heating, the carbonate transforms into orthorhombic Fe4C3O12 and iron oxides. Incipient melting was also observed. This approach to collect information about the electronic state and structural changes from samples contained in a diamond anvil cell at melting temperatures and above will considerably improve our understanding of the structure and dynamics of planetary and exoplanetary interiors.},
  language  = {en}
}
@article{PanchalKojdaSahooetal.2022,
  author    = {Panchal, Gyanendra and Kojda, Sandrino Danny and Sahoo, Sophia and Bagri, Anita and Kunwar, Hemant Singh and Bocklage, Lars and Panchwanee, Anjali and Sathe, Vasant G. and Fritsch, Katharina and Habicht, Klaus and Choudhary, Ram Janay and Phase, Deodutta M.},
  title     = {Strain and electric field control of magnetic and electrical transport properties in a magnetoelastically coupled Fe3O4/BaTiO3 (001) heterostructure},
  series = {Physical review : B, Condensed matter and materials physics},
  volume    = {105},
  journal   = {Physical review : B, Condensed matter and materials physics},
  number    = {22},
  publisher = {The American Institute of Physics},
  address   = {Woodbury, NY},
  issn      = {2469-9950},
  doi       = {10.1103/PhysRevB.105.224419},
  pages     = {8},
  year      = {2022},
  abstract  = {We present a study of the control of electric field induced strain on the magnetic and electrical transport properties in a magnetoelastically coupled artificial multiferroic Fe3O4/BaTiO3 heterostructure. In this Fe3O4/BaTiO3 heterostructure, the Fe3O4 thin film is epitaxially grown in the form of bilateral domains, analogous to a-c stripe domains of the underlying BaTiO3(001) substrate. By in situ electric field dependent magnetization measurements, we demonstrate the extrinsic control of the magnetic anisotropy and the characteristic Verwey metal-insulator transition of the epitaxial Fe3O4 thin film in a wide temperature range between 20-300 K, via strain mediated converse magnetoelectric coupling. In addition, we observe strain induced modulations in the magnetic and electrical transport properties of the Fe3O4 thin film across the thermally driven intrinsic ferroelectric and structural phase transitions of the BaTiO3 substrate. In situ electric field dependent Raman measurements reveal that the electric field does not significantly modify the antiphase boundary defects in the Fe3O4 thin film once it is thermodynamically stable after deposition and that the modification of the magnetic properties is mainly caused by strain induced lattice distortions and magnetic anisotropy. These results provide a framework to realize electrical control of the magnetization in a classical highly correlated transition metal oxide.},
  language  = {en}
}
@article{ClarkWadgaonkarFreyseetal.2022,
  author    = {Clark, Oliver J. and Wadgaonkar, Indrajit and Freyse, Friedrich and Springholz, Gunther and Battiato, Marco and Sanchez-Barriga, Jaime},
  title     = {Ultrafast thermalization pathways of excited bulk and surface states in the ferroelectric rashba semiconductor GeTe},
  series = {Advanced materials},
  volume    = {34},
  journal   = {Advanced materials},
  number    = {24},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0935-9648},
  doi       = {10.1002/adma.202200323},
  pages     = {13},
  year      = {2022},
  abstract  = {A large Rashba effect is essential for future applications in spintronics. Particularly attractive is understanding and controlling nonequilibrium properties of ferroelectric Rashba semiconductors. Here, time- and angle-resolved photoemission is utilized to access the ultrafast dynamics of bulk and surface transient Rashba states after femtosecond optical excitation of GeTe. A complex thermalization pathway is observed, wherein three different timescales can be clearly distinguished: intraband thermalization, interband equilibration, and electronic cooling. These dynamics exhibit an unconventional temperature dependence: while the cooling phase speeds up with increasing sample temperature, the opposite happens for interband thermalization. It is demonstrated how, due to the Rashba effect, an interdependence of these timescales on the relative strength of both electron-electron and electron-phonon interactions is responsible for the counterintuitive temperature dependence, with spin-selection constrained interband electron-electron scatterings found both to dominate dynamics away from the Fermi level, and to weaken with increasing temperature. These findings are supported by theoretical calculations within the Boltzmann approach explicitly showing the opposite behavior of all relevant electron-electron and electron-phonon scattering channels with temperature, thus confirming the microscopic mechanism of the experimental findings. The present results are important for future applications of ferroelectric Rashba semiconductors and their excitations in ultrafast spintronics.},
  language  = {en}
}
@article{StefancuNanZhuetal.2022,
  author    = {Stefancu, Andrei and Nan, Lin and Zhu, Li and Chis, Vasile and Bald, Ilko and Liu, Min and Leopold, Nicolae and Maier, Stefan A. and Cortes, Emiliano},
  title     = {Controlling plasmonic chemistry pathways through specific ion effects},
  series = {Advanced optical materials},
  volume    = {10},
  journal   = {Advanced optical materials},
  number    = {14},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {2195-1071},
  doi       = {10.1002/adom.202200397},
  pages     = {10},
  year      = {2022},
  abstract  = {Plasmon-driven dehalogenation of brominated purines has been recently explored as a model system to understand fundamental aspects of plasmon-assisted chemical reactions. Here, it is shown that divalent Ca2+ ions strongly bridge the adsorption of bromoadenine (Br-Ade) to Ag surfaces. Such ion-mediated binding increases the molecule's adsorption energy leading to an overlap of the metal energy states and the molecular states, enabling the chemical interface damping (CID) of the plasmon modes of the Ag nanostructures (i.e., direct electron transfer from the metal to Br-Ade). Consequently, the conversion of Br-Ade to adenine almost doubles following the addition of Ca2+. These experimental results, supported by theoretical calculations of the local density of states of the Ag/Br-Ade complex, indicate a change of the charge transfer pathway driving the dehalogenation reaction, from Landau damping (in the lack of Ca2+ ions) to CID (after the addition of Ca2+). The results show that the surface dynamics of chemical species (including water molecules) play an essential role in charge transfer at plasmonic interfaces and cannot be ignored. It is envisioned that these results will help in designing more efficient nanoreactors, harnessing the full potential of plasmon-assisted chemistry.},
  language  = {en}
}
@article{YanXueJiangetal.2022,
  author    = {Yan, Xiaoli and Xue, Zhike and Jiang, Chaowei and Priest, E. R. and Kliem, Bernhard and Yang, Liheng and Wang, Jincheng and Kong, Defang and Song, Yongliang and Feng, Xueshang and Liu, Zhong},
  title     = {Fast plasmoid-mediated reconnection in a solar flare},
  series = {Nature Communications},
  volume    = {13},
  journal   = {Nature Communications},
  number    = {1},
  publisher = {Nature Publishing Group UK},
  address   = {London},
  issn      = {2041-1723},
  doi       = {10.1038/s41467-022-28269-w},
  pages     = {14},
  year      = {2022},
  abstract  = {Magnetic reconnection is a multi-faceted process of energy conversion in astrophysical, space and laboratory plasmas that operates at microscopic scales but has macroscopic drivers and consequences. Solar flares present a key laboratory for its study, leaving imprints of the microscopic physics in radiation spectra and allowing the macroscopic evolution to be imaged, yet a full observational characterization remains elusive. Here we combine high resolution imaging and spectral observations of a confined solar flare at multiple wavelengths with data-constrained magnetohydrodynamic modeling to study the dynamics of the flare plasma from the current sheet to the plasmoid scale. The analysis suggests that the flare resulted from the interaction of a twisted magnetic flux rope surrounding a filament with nearby magnetic loops whose feet are anchored in chromospheric fibrils. Bright cusp-shaped structures represent the region around a reconnecting separator or quasi-separator (hyperbolic flux tube). The fast reconnection, which is relevant for other astrophysical environments, revealed plasmoids in the current sheet and separatrices and associated unresolved turbulent motions. Solar flares provide wide range of observational details about fundamental processes involved. Here, the authors show evidence for magnetic reconnection in a strong confined solar flare displaying all four reconnection flows with plasmoids in the current sheet and the separatrices.},
  language  = {en}
}
@article{MorrisBohdanWeidletal.2022,
  author    = {Morris, Paul J. and Bohdan, Artem and Weidl, Martin S. and Pohl, Martin},
  title     = {Preacceleration in the Electron Foreshock. I. Electron Acoustic Waves},
  series = {The astrophysical journal : an international review of spectroscopy and astronomical physics},
  volume    = {931},
  journal   = {The astrophysical journal : an international review of spectroscopy and astronomical physics},
  number    = {2},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {0004-637X},
  doi       = {10.3847/1538-4357/ac69c7},
  pages     = {12},
  year      = {2022},
  abstract  = {To undergo diffusive shock acceleration, electrons need to be preaccelerated to increase their energies by several orders of magnitude, else their gyroradii will be smaller than the finite width of the shock. In oblique shocks, where the upstream magnetic field orientation is neither parallel nor perpendicular to the shock normal, electrons can escape to the shock upstream, modifying the shock foot to a region called the electron foreshock. To determine the preacceleration in this region, we undertake particle-in-cell simulations of oblique shocks while varying the obliquity and in-plane angles. We show that while the proportion of reflected electrons is negligible for theta (Bn) = 74.degrees 3, it increases to R similar to 5\% for theta (Bn) = 30 degrees, and that, via the electron acoustic instability, these electrons power electrostatic waves upstream with energy density proportional to R (0.6) and a wavelength approximate to 2 lambda (se), where lambda (se) is the electron skin length. While the initial reflection mechanism is typically a combination of shock-surfing acceleration and magnetic mirroring, we show that once the electrostatic waves have been generated upstream, they themselves can increase the momenta of upstream electrons parallel to the magnetic field. In less than or similar to 1\% of cases, upstream electrons are prematurely turned away from the shock and never injected downstream. In contrast, a similar fraction is rescattered back toward the shock after reflection, reinteracts with the shock with energies much greater than thermal, and crosses into the downstream.},
  language  = {en}
}
@article{LeCorreDiekmannPenaCamargoetal.2022,
  author    = {Le Corre, Vincent M. and Diekmann, Jonas and Pe{\~n}a-Camargo, Francisco and Thiesbrummel, Jarla and Tokmoldin, Nurlan and Gutierrez-Partida, Emilio and Peters, Karol Pawel and Perdig{\´o}n-Toro, Lorena and Futscher, Moritz H. and Lang, Felix and Warby, Jonathan and Snaith, Henry J. and Neher, Dieter and Stolterfoht, Martin},
  title     = {Quantification of efficiency losses due to mobile ions in Perovskite solar cells via fast hysteresis measurements},
  series = {Solar RRL},
  volume    = {6},
  journal   = {Solar RRL},
  number    = {4},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {2367-198X},
  doi       = {10.1002/solr.202100772},
  pages     = {10},
  year      = {2022},
  abstract  = {Perovskite semiconductors differ from most inorganic and organic semiconductors due to the presence of mobile ions in the material. Although the phenomenon is intensively investigated, important questions such as the exact impact of the mobile ions on the steady-state power conversion efficiency (PCE) and stability remain. Herein, a simple method is proposed to estimate the efficiency loss due to mobile ions via "fast-hysteresis" measurements by preventing the perturbation of mobile ions out of their equilibrium position at fast scan speeds (approximate to 1000 V s(-1)). The "ion-free" PCE is between 1\% and 3\% higher than the steady-state PCE, demonstrating the importance of ion-induced losses, even in cells with low levels of hysteresis at typical scan speeds (approximate to 100mv s(-1)). The hysteresis over many orders of magnitude in scan speed provides important information on the effective ion diffusion constant from the peak hysteresis position. The fast-hysteresis measurements are corroborated by transient charge extraction and capacitance measurements and numerical simulations, which confirm the experimental findings and provide important insights into the charge carrier dynamics. The proposed method to quantify PCE losses due to field screening induced by mobile ions clarifies several important experimental observations and opens up a large range of future experiments.},
  language  = {en}
}
@article{ZaragozaCardielGomezGonzalezMayyaetal.2022,
  author    = {Zaragoza-Cardiel, Javier and G{\´o}mez-Gonz{\´a}lez, V{\´i}ctor Mauricio Alfonso and Mayya, Yalia Divakara and Ramos-Larios, Gerardo},
  title     = {Nebular abundance gradient in the Cartwheel galaxy using MUSE data},
  series = {Monthly notices of the Royal Astronomical Society},
  volume    = {514},
  journal   = {Monthly notices of the Royal Astronomical Society},
  number    = {2},
  publisher = {Oxford University Press},
  address   = {Oxford},
  issn      = {0035-8711},
  doi       = {10.1093/mnras/stac1423},
  pages     = {1689 -- 1705},
  year      = {2022},
  abstract  = {We here present the results from a detailed analysis of nebular abundances of commonly observed ions in the collisional ring galaxy Cartwheel using the Very Large Telescope (VLT) Multi-Unit Spectroscopic Explorer (MUSE) data set. The analysis includes 221 H II regions in the star-forming ring, in addition to 40 relatively fainter H a-emitting regions in the spokes, disc, and the inner ring. The ionic abundances of He, N, O, and Fe are obtained using the direct method (DM) for 9, 20, 20, and 17 ring H II regions, respectively, where the S++ temperature-sensitive line is detected. For the rest of the regions, including all the nebulae between the inner and the outer ring, we obtained O abundances using the strong-line method (SLM). The ring regions have a median 12 + log O/H = 8.19 +/- 0.15, log N/O = -1.57 +/- 0.09 and log Fe/O = -2.24 +/- 0.09 using the DM. Within the range of O abundances seen in the Cartwheel, the N/O and Fe/O values decrease proportionately with increasing O, suggesting local enrichment of O without corresponding enrichment of primary N and Fe. The O abundances of the disc H II regions obtained using the SLM show a well-defined radial gradient. The mean O abundance of the ring H II regions is lower by similar to 0.1 dex as compared to the extrapolation of the radial gradient. The observed trends suggest the preservation of the pre-collisional abundance gradient, displacement of most of the processed elements to the ring, as predicted by the recent simulation by Renaud et al., and post-collisional infall of metal-poor gas in the ring.},
  language  = {en}
}
@article{SposiniChechkinSokolovetal.2022,
  author    = {Sposini, Vittoria and Chechkin, Aleksei and Sokolov, Igor M. and Roldan-Vargas, Sandalo},
  title     = {Detecting temporal correlations in hopping dynamics in Lennard-Jones liquids},
  series = {Journal of physics : A, Mathematical and theoretical},
  volume    = {55},
  journal   = {Journal of physics : A, Mathematical and theoretical},
  number    = {32},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {1751-8113},
  doi       = {10.1088/1751-8121/ac7e0a},
  pages     = {15},
  year      = {2022},
  abstract  = {Lennard-Jones mixtures represent one of the popular systems for the study of glass-forming liquids. Spatio/temporal heterogeneity and rare (activated) events are at the heart of the slow dynamics typical of these systems. Such slow dynamics is characterised by the development of a plateau in the mean-squared displacement (MSD) at intermediate times, accompanied by a non-Gaussianity in the displacement distribution identified by exponential tails. As pointed out by some recent works, the non-Gaussianity persists at times beyond the MSD plateau, leading to a Brownian yet non-Gaussian regime and thus highlighting once again the relevance of rare events in such systems. Single-particle motion of glass-forming liquids is usually interpreted as an alternation of rattling within the local cage and cage-escape motion and therefore can be described as a sequence of waiting times and jumps. In this work, by using a simple yet robust algorithm, we extract jumps and waiting times from single-particle trajectories obtained via molecular dynamics simulations. We investigate the presence of correlations between waiting times and find negative correlations, which becomes more and more pronounced when lowering the temperature.},
  language  = {en}
}
@article{GrebenkovMetzlerOshanin2022,
  author    = {Grebenkov, Denis S. and Metzler, Ralf and Oshanin, Gleb},
  title     = {Search efficiency in the Adam-Delbruck reduction-of-dimensionality scenario versus direct diffusive search},
  series = {New journal of physics : the open-access journal for physics},
  volume    = {24},
  journal   = {New journal of physics : the open-access journal for physics},
  number    = {8},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {1367-2630},
  doi       = {10.1088/1367-2630/ac8824},
  pages     = {32},
  year      = {2022},
  abstract  = {The time instant-the first-passage time (FPT)-when a diffusive particle (e.g., a ligand such as oxygen or a signalling protein) for the first time reaches an immobile target located on the surface of a bounded three-dimensional domain (e.g., a hemoglobin molecule or the cellular nucleus) is a decisive characteristic time-scale in diverse biophysical and biochemical processes, as well as in intermediate stages of various inter- and intra-cellular signal transduction pathways. Adam and Delbruck put forth the reduction-of-dimensionality concept, according to which a ligand first binds non-specifically to any point of the surface on which the target is placed and then diffuses along this surface until it locates the target. In this work, we analyse the efficiency of such a scenario and confront it with the efficiency of a direct search process, in which the target is approached directly from the bulk and not aided by surface diffusion. We consider two situations: (i) a single ligand is launched from a fixed or a random position and searches for the target, and (ii) the case of 'amplified' signals when N ligands start either from the same point or from random positions, and the search terminates when the fastest of them arrives to the target. For such settings, we go beyond the conventional analyses, which compare only the mean values of the corresponding FPTs. Instead, we calculate the full probability density function of FPTs for both scenarios and study its integral characteristic-the 'survival' probability of a target up to time t. On this basis, we examine how the efficiencies of both scenarios are controlled by a variety of parameters and single out realistic conditions in which the reduction-of-dimensionality scenario outperforms the direct search.},
  language  = {en}
}
@article{AgarwalGuntuBanerjeeetal.2022,
  author    = {Agarwal, Ankit and Guntu, Ravikumar and Banerjee, Abhirup and Gadhawe, Mayuri Ashokrao and Marwan, Norbert},
  title     = {A complex network approach to study the extreme precipitation patterns in a river basin},
  series = {Chaos : an interdisciplinary journal of nonlinear science},
  volume    = {32},
  journal   = {Chaos : an interdisciplinary journal of nonlinear science},
  number    = {1},
  publisher = {American Institute of Physics},
  address   = {Woodbury, NY},
  issn      = {1054-1500},
  doi       = {10.1063/5.0072520},
  pages     = {12},
  year      = {2022},
  abstract  = {The quantification of spatial propagation of extreme precipitation events is vital in water resources planning and disaster mitigation. However, quantifying these extreme events has always been challenging as many traditional methods are insufficient to capture the nonlinear interrelationships between extreme event time series. Therefore, it is crucial to develop suitable methods for analyzing the dynamics of extreme events over a river basin with a diverse climate and complicated topography. Over the last decade, complex network analysis emerged as a powerful tool to study the intricate spatiotemporal relationship between many variables in a compact way. In this study, we employ two nonlinear concepts of event synchronization and edit distance to investigate the extreme precipitation pattern in the Ganga river basin. We use the network degree to understand the spatial synchronization pattern of extreme rainfall and identify essential sites in the river basin with respect to potential prediction skills. The study also attempts to quantify the influence of precipitation seasonality and topography on extreme events. The findings of the study reveal that (1) the network degree is decreased in the southwest to northwest direction, (2) the timing of 50th percentile precipitation within a year influences the spatial distribution of degree, (3) the timing is inversely related to elevation, and (4) the lower elevation greatly influences connectivity of the sites. The study highlights that edit distance could be a promising alternative to analyze event-like data by incorporating event time and amplitude and constructing complex networks of climate extremes.},
  language  = {en}
}
@article{ClarkFreyseYashinaetal.2022,
  author    = {Clark, Oliver J. and Freyse, Friedrich and Yashina, L. V. and Rader, Oliver and Sanchez-Barriga, Jaime},
  title     = {Robust behavior and spin-texture stability of the topological surface state in Bi2Se3 upon deposition of gold},
  series = {npj quantum materials},
  volume    = {7},
  journal   = {npj quantum materials},
  number    = {1},
  publisher = {Nature Publishing Group},
  address   = {London},
  issn      = {2397-4648},
  doi       = {10.1038/s41535-022-00443-9},
  pages     = {7},
  year      = {2022},
  abstract  = {The Dirac point of a topological surface state (TSS) is protected against gapping by time-reversal symmetry. Conventional wisdom stipulates, therefore, that only through magnetisation may a TSS become gapped. However, non-magnetic gaps have now been demonstrated in Bi2Se3 systems doped with Mn or In, explained by hybridisation of the Dirac cone with induced impurity resonances. Recent photoemission experiments suggest that an analogous mechanism applies even when Bi2Se3 is surface dosed with Au. Here, we perform a systematic spin- and angle-resolved photoemission study of Au-dosed Bi2Se3. Although there are experimental conditions wherein the TSS appears gapped due to unfavourable photoemission matrix elements, our photon-energy-dependent spectra unambiguously demonstrate the robustness of the Dirac cone against high Au coverage. We further show how the spin textures of the TSS and its accompanying surface resonances remain qualitatively unchanged following Au deposition, and discuss the mechanism underlying the suppression of the spectral weight.},
  language  = {en}
}
@article{PadashSandevKantzetal.2022,
  author    = {Padash, Amin and Sandev, Trifce and Kantz, Holger and Metzler, Ralf and Chechkin, Aleksei},
  title     = {Asymmetric Levy flights are more efficient in random search},
  series = {Fractal and fractional},
  volume    = {6},
  journal   = {Fractal and fractional},
  number    = {5},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {2504-3110},
  doi       = {10.3390/fractalfract6050260},
  pages     = {23},
  year      = {2022},
  abstract  = {We study the first-arrival (first-hitting) dynamics and efficiency of a one-dimensional random search model performing asymmetric Levy flights by leveraging the Fokker-Planck equation with a delta-sink and an asymmetric space-fractional derivative operator with stable index alpha and asymmetry (skewness) parameter beta. We find exact analytical results for the probability density of first-arrival times and the search efficiency, and we analyse their behaviour within the limits of short and long times. We find that when the starting point of the searcher is to the right of the target, random search by Brownian motion is more efficient than Levy flights with beta <= 0 (with a rightward bias) for short initial distances, while for beta>0 (with a leftward bias) Levy flights with alpha -> 1 are more efficient. When increasing the initial distance of the searcher to the target, Levy flight search (except for alpha=1 with beta=0) is more efficient than the Brownian search. Moreover, the asymmetry in jumps leads to essentially higher efficiency of the Levy search compared to symmetric Levy flights at both short and long distances, and the effect is more pronounced for stable indices alpha close to unity.},
  language  = {en}
}
@article{GrebenkovKumar2022,
  author    = {Grebenkov, Denis S. and Kumar, Aanjaneya},
  title     = {First-passage times of multiple diffusing particles with reversible target-binding kinetics},
  series = {Journal of physics : A, Mathematical and theoretical},
  volume    = {55},
  journal   = {Journal of physics : A, Mathematical and theoretical},
  number    = {32},
  publisher = {IOP Publ.},
  address   = {Bristol},
  issn      = {1751-8113},
  doi       = {10.1088/1751-8121/ac7e91},
  pages     = {33},
  year      = {2022},
  abstract  = {We investigate a class of diffusion-controlled reactions that are initiated at the time instance when a prescribed number K among N particles independently diffusing in a solvent are simultaneously bound to a target region. In the irreversible target-binding setting, the particles that bind to the target stay there forever, and the reaction time is the Kth fastest first-passage time to the target, whose distribution is well-known. In turn, reversible binding, which is common for most applications, renders theoretical analysis much more challenging and drastically changes the distribution of reaction times. We develop a renewal-based approach to derive an approximate solution for the probability density of the reaction time. This approximation turns out to be remarkably accurate for a broad range of parameters. We also analyze the dependence of the mean reaction time or, equivalently, the inverse reaction rate, on the main parameters such as K, N, and binding/unbinding constants. Some biophysical applications and further perspectives are briefly discussed.},
  language  = {en}
}
@article{KoelschDietrichUjevicetal.2022,
  author    = {K{\"o}lsch, Maximilian and Dietrich, Tim and Ujevic, Maximiliano and Br{\"u}gmann, Bernd},
  title     = {Investigating the mass-ratio dependence of the prompt-collapse threshold with numerical-relativity simulations},
  series = {Physical review : D, Particles, fields, gravitation, and cosmology},
  volume    = {106},
  journal   = {Physical review : D, Particles, fields, gravitation, and cosmology},
  number    = {4},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0010},
  doi       = {10.1103/PhysRevD.106.044026},
  pages     = {27},
  year      = {2022},
  abstract  = {The next observing runs of advanced gravitational-wave detectors will lead to a variety of binary neutron star detections and numerous possibilities for multimessenger observations of binary neutron star systems. In this context a clear understanding of the merger process and the possibility of prompt black hole formation after merger is important, as the amount of ejected material strongly depends on the merger dynamics. These dynamics are primarily affected by the total mass of the binary, however, the mass ratio also influences the postmerger evolution. To determine the effect of the mass ratio, we investigate the parameter space around the prompt-collapse threshold with a new set of fully relativistic simulations. The simulations cover three equations of state and seven mass ratios in the range of 1.0 <= q <= 1.75, with five to seven simulations of binary systems of different total mass in each case. The threshold mass is determined through an empirical relation based on the collapse time, which allows us to investigate effects of the mass ratio on the threshold mass and also on the properties of the remnant system. Furthermore, we model effects of mass ratio and equation of state on tidal parameters of threshold configurations.},
  language  = {en}
}
@article{EmmaSchianchiPannaraleetal.2022,
  author    = {Emma, Mattia and Schianchi, Federico and Pannarale, Francesco and Sagun, Violetta and Dietrich, Tim},
  title     = {Numerical simulations of dark matter admixed neutron star binaries},
  series = {Particles},
  volume    = {5},
  journal   = {Particles},
  number    = {3},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {2571-712X},
  doi       = {10.3390/particles5030024},
  pages     = {273 -- 286},
  year      = {2022},
  abstract  = {Multi-messenger observations of compact binary mergers provide a new way to constrain the nature of dark matter that may accumulate in and around neutron stars. In this article, we extend the infrastructure of our numerical-relativity code BAM to enable the simulation of neutron stars that contain an additional mirror dark matter component. We perform single star tests to verify our code and the first binary neutron star simulations of this kind. We find that the presence of dark matter reduces the lifetime of the merger remnant and favors a prompt collapse to a black hole. Furthermore, we find differences in the merger time for systems with the same total mass and mass ratio, but different amounts of dark matter. Finally, we find that electromagnetic signals produced by the merger of binary neutron stars admixed with dark matter are very unlikely to be as bright as their dark matter-free counterparts. Given the increased sensitivity of multi-messenger facilities, our analysis gives a new perspective on how to probe the presence of dark matter.},
  language  = {en}
}
@article{DudiAdhikariBruegmannetal.2022,
  author    = {Dudi, Reetika and Adhikari, Ananya and Br{\"u}gmann, Bernd and Dietrich, Tim and Hayashi, Kota and Kawaguchi, Kyohei and Kiuchi, Kenta and Kyutoku, Koutarou and Shibata, Masaru and Tichy, Wolfgang},
  title     = {Investigating GW190425 with numerical-relativity simulations},
  series = {Physical review : D, Particles, fields, gravitation, and cosmology},
  volume    = {106},
  journal   = {Physical review : D, Particles, fields, gravitation, and cosmology},
  number    = {8},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0010},
  doi       = {10.1103/PhysRevD.106.084039},
  pages     = {11},
  year      = {2022},
  abstract  = {The third observing run of the LIGO-Virgo Collaboration has resulted in many gravitational wave detections, including the binary neutron star merger GW190425. However, none of these events have been accompanied with an electromagnetic transient found during extensive follow-up searches. In this article, we perform new numerical-relativity simulations of binary neutron star and black hole-neutron star systems that have a chirp mass consistent with GW190425. Assuming that the GW190425's sky location was covered with sufficient accuracy during the electromagnetic follow-up searches, we investigate whether the nondetection of the kilonova is compatible with the source parameters estimated through the gravitational -wave analysis and how one can use this information to place constraints on the properties of the system. Our simulations suggest that GW190425 is incompatible with an unequal mass binary neutron star merger with a mass ratio q < 0.8 when considering stiff or moderately stiff equations of state if the binary was face on and covered by the observation. Our analysis shows that a detailed observational result for kilonovae will be useful to constrain the mass ratio of binary neutron stars in future events.},
  language  = {en}
}
@article{GiegSchianchiDietrichetal.2022,
  author    = {Gieg, Henrique and Schianchi, Federico and Dietrich, Tim and Ujevic, Maximiliano},
  title     = {Incorporating a Radiative Hydrodynamics Scheme in the Numerical-Relativity Code BAM},
  series = {Universe : open access journal},
  volume    = {8},
  journal   = {Universe : open access journal},
  number    = {7},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {2218-1997},
  doi       = {10.3390/universe8070370},
  pages     = {25},
  year      = {2022},
  abstract  = {To study binary neutron star systems and to interpret observational data such as gravitational-wave and kilonova signals, one needs an accurate description of the processes that take place during the final stages of the coalescence, for example, through numerical-relativity simulations. In this work, we present an updated version of the numerical-relativity code BAM in order to incorporate nuclear-theory-based equations of state and a simple description of neutrino interactions through a neutrino leakage scheme. Different test simulations, for stars undergoing a neutrino-induced gravitational collapse and for binary neutron stars systems, validate our new implementation. For the binary neutron stars systems, we show that we can evolve stably and accurately distinct microphysical models employing the different equations of state: SFHo, DD2, and the hyperonic BHB Lambda phi. Overall, our test simulations have good agreement with those reported in the literature.},
  language  = {en}
}
@article{UjevicRashtiGiegetal.2022,
  author    = {Ujevic, Maximiliano and Rashti, Alireza and Gieg, Henrique Leonhard and Tichy, Wolfgang and Dietrich, Tim},
  title     = {High-accuracy high-mass-ratio simulations for binary neutron stars and their comparison to existing waveform models},
  series = {Physical review : D, Particles, fields, gravitation, and cosmology},
  volume    = {106},
  journal   = {Physical review : D, Particles, fields, gravitation, and cosmology},
  number    = {2},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0010},
  doi       = {10.1103/PhysRevD.106.023029},
  pages     = {10},
  year      = {2022},
  abstract  = {The subsequent observing runs of the advanced gravitational-wave detector network will likely provide us with various gravitational-wave observations of binary neutron star systems. For an accurate interpretation of these detections, we need reliable gravitational-wave models. To test and to point out how existing models could be improved, we perform a set of high-resolution numerical relativity simulations for four different physical setups with mass ratios q = 1.25, 1.50, 1.75, 2.00, and total gravitational mass M = 2.7 M???. Each configuration is simulated with five different resolutions to allow a proper error assessment. Overall, we find approximately second-order converging results for the dominant (2,2) mode, but also the subdominant (2,1), (3,3), and (4,4) modes, while generally, the convergence order reduces slightly for an increasing mass ratio. Our simulations allow us to validate waveform models, where we find generally good agreement between state-of-the-art models and our data, and to prove that scaling relations for higher modes currently employed for binary black hole waveform modeling also apply for the tidal contribution. Finally, we also test if the current NRTidal model used to describe tidal effects is a valid description for high-mass-ratio systems. We hope that our simulation results can be used to further improve and test waveform models in preparation for the next observing runs.},
  language  = {en}
}
@article{GerlachPreitschopfKaraevetal.2022,
  author    = {Gerlach, Marius and Preitschopf, Tobias and Karaev, Emil and Quitian-Lara, Heidy Mayerly and Mayer, Dennis and Bozek, John and Fischer, Ingo and Fink, Reinhold F.},
  title     = {Auger electron spectroscopy of fulminic acid, HCNO},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {24},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {25},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/d2cp02104h},
  pages     = {15217 -- 15229},
  year      = {2022},
  abstract  = {HCNO is a molecule of considerable astrochemical interest as a precursor to prebiotic molecules. It is synthesized by preparative pyrolysis and is unstable at room temperature. Here, we investigate its spectroscopy in the soft X-ray regime at the C 1s, N 1s and O 1s edges. All 1s ionization energies are reported and X-ray absorption spectra reveal the transitions from the 1s to the pi* state. Resonant and normal Auger electron spectra for the decay of the core hole states are recorded in a hemispherical analyzer. An assignment of the experimental spectra is provided with the aid of theoretical counterparts. The latter are using a valence configuration interaction representation of the intermediate and final state energies and wavefunctions, the one-center approximation for transition rates and band shapes according to the moment theory. The computed spectra are in very good agreement with the experimental data and most of the relevant bands are assigned. Additionally, we present a simple approach to estimate relative Auger transition rates on the basis of a minimal basis representation of the molecular orbitals. We demonstrate that this provides a qualitatively good and reliable estimate for several signals in the normal and resonant Auger electron spectra which have significantly different intensities in the decay of the three core holes.},
  language  = {en}
}
@article{YeZhangWarbyetal.2022,
  author    = {Ye, Fangyuan and Zhang, Shuo and Warby, Jonathan and Wu, Jiawei and Gutierrez-Partida, Emilio and Lang, Felix and Shah, Sahil and Saglamkaya, Elifnaz and Sun, Bowen and Zu, Fengshuo and Shoaee, Safa and Wang, Haifeng and Stiller, Burkhard and Neher, Dieter and Zhu, Wei-Hong and Stolterfoht, Martin and Wu, Yongzhen},
  title     = {Overcoming C-60-induced interfacial recombination in inverted perovskite solar cells by electron-transporting carborane},
  series = {Nature Communications},
  volume    = {13},
  journal   = {Nature Communications},
  number    = {1},
  publisher = {Nature Publishing Group},
  address   = {London},
  issn      = {2041-1723},
  doi       = {10.1038/s41467-022-34203-x},
  pages     = {12},
  year      = {2022},
  abstract  = {Inverted perovskite solar cells still suffer from significant non-radiative recombination losses at the perovskite surface and across the perovskite/C-60 interface, limiting the future development of perovskite-based single- and multi-junction photovoltaics. Therefore, more effective inter- or transport layers are urgently required. To tackle these recombination losses, we introduce ortho-carborane as an interlayer material that has a spherical molecular structure and a three-dimensional aromaticity. Based on a variety of experimental techniques, we show that ortho-carborane decorated with phenylamino groups effectively passivates the perovskite surface and essentially eliminates the non-radiative recombination loss across the perovskite/C-60 interface with high thermal stability. We further demonstrate the potential of carborane as an electron transport material, facilitating electron extraction while blocking holes from the interface. The resulting inverted perovskite solar cells deliver a power conversion efficiency of over 23\% with a low non-radiative voltage loss of 110mV, and retain >97\% of the initial efficiency after 400h of maximum power point tracking. Overall, the designed carborane based interlayer simultaneously enables passivation, electron-transport and hole-blocking and paves the way toward more efficient and stable perovskite solar cells. Effective transport layers are essential to suppress non-radiative recombination losses. Here, the authors introduce phenylamino-functionalized ortho-carborane as an interfacial layer, and realise inverted perovskite solar cells with efficiency of over 23\% and operational stability of T97=400h.},
  language  = {en}
}
@article{PoelkingBenduhnSpoltoreetal.2022,
  author    = {Poelking, Carl and Benduhn, Johannes and Spoltore, Donato and Schwarze, Martin and Roland, Steffen and Piersimoni, Fortunato and Neher, Dieter and Leo, Karl and Vandewal, Koen and Andrienko, Denis},
  title     = {Open-circuit voltage of organic solar cells},
  series = {Communications physics},
  volume    = {5},
  journal   = {Communications physics},
  number    = {1},
  publisher = {Nature portfolio},
  address   = {Berlin},
  issn      = {2399-3650},
  doi       = {10.1038/s42005-022-01084-x},
  pages     = {7},
  year      = {2022},
  abstract  = {Organic photovoltaics (PV) is an energy-harvesting technology that offers many advantages, such as flexibility, low weight and cost, as well as environmentally benign materials and manufacturing techniques. Despite growth of power conversion efficiencies to around 19 \% in the last years, organic PVs still lag behind inorganic PV technologies, mainly due to high losses in open-circuit voltage. Understanding and improving open circuit voltage in organic solar cells is challenging, as it is controlled by the properties of a donor-acceptor interface where the optical excitations are separated into charge carriers. Here, we provide an electrostatic model of a rough donor-acceptor interface and test it experimentally on small molecule PV materials systems. The model provides concise relationships between the open-circuit voltage, photovoltaic gap, charge-transfer state energy, and interfacial morphology. In particular, we show that the electrostatic bias generated across the interface reduces the photovoltaic gap. This negative influence on open-circuit voltage can, however, be circumvented by adjusting the morphology of the donor-acceptor interface. Organic solar cells, despite their high power conversion efficiencies, suffer from open circuit voltage losses making them less appealing in terms of applications. Here, the authors, supported with experimental data on small molecule photovoltaic cells, relate open circuit voltage to photovoltaic gap, charge-transfer state energy, and donor-acceptor interfacial morphology.},
  language  = {en}
}
@article{VollbrechtTokmoldinSunetal.2022,
  author    = {Vollbrecht, Joachim and Tokmoldin, Nurlan and Sun, Bowen and Brus, Viktor V. and Shoaee, Safa and Neher, Dieter},
  title     = {Determination of the charge carrier density in organic solar cells},
  series = {Journal of applied physics},
  volume    = {131},
  journal   = {Journal of applied physics},
  number    = {22},
  publisher = {American Institute of Physics},
  address   = {Melville, NY},
  issn      = {0021-8979},
  doi       = {10.1063/5.0094955},
  pages     = {18},
  year      = {2022},
  abstract  = {The increase in the performance of organic solar cells observed over the past few years has reinvigorated the search for a deeper understanding of the loss and extraction processes in this class of device. A detailed knowledge of the density of free charge carriers under different operating conditions and illumination intensities is a prerequisite to quantify the recombination and extraction dynamics. Differential charging techniques are a promising approach to experimentally obtain the charge carrier density under the aforementioned conditions. In particular, the combination of transient photovoltage and photocurrent as well as impedance and capacitance spectroscopy have been successfully used in past studies to determine the charge carrier density of organic solar cells. In this Tutorial, these experimental techniques will be discussed in detail, highlighting fundamental principles, practical considerations, necessary corrections, advantages, drawbacks, and ultimately their limitations. Relevant references introducing more advanced concepts will be provided as well. Therefore, the present Tutorial might act as an introduction and guideline aimed at new prospective users of these techniques as well as a point of reference for more experienced researchers. Published under an exclusive license by AIP Publishing.},
  language  = {en}
}
@article{SunSandbergNeheretal.2022,
  author    = {Sun, Bowen and Sandberg, Oskar and Neher, Dieter and Armin, Ardalan and Shoaee, Safa},
  title     = {Wave optics of differential absorption spectroscopy in thick-junction organic solar cells},
  series = {Physical review applied / The American Physical Society},
  volume    = {17},
  journal   = {Physical review applied / The American Physical Society},
  number    = {5},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2331-7019},
  doi       = {10.1103/PhysRevApplied.17.054016},
  pages     = {12},
  year      = {2022},
  abstract  = {Differential absorption spectroscopy techniques serve as powerful techniques to study the excited species in organic solar cells. However, it has always been challenging to employ these techniques for characterizing thick-junction organic solar cells, especially when a reflective top contact is involved. In this work, we present a detailed and systematic study on how a combination of the presence of the interference effect and a nonuniform charge-distribution profile, severely manipulates experimental spectra and the decay dynamics. Furthermore, we provide a practical methodology to correct these optical artifacts in differential absorption spectroscopies. The results and the proposed correction method generally apply to all kinds of differential absorption spectroscopy techniques and various thin-film systems, such as organics, perovskites, kesterites, and two-dimensional materials. Notably, it is found that the shape of differential absorption spectra can be strongly distorted, starting from 150-nm active-layer thickness; this matches the thickness range of thick-junction organic solar cells and most perovskite solar cells and needs to be carefully considered in experiments. In addition, the decay dynamics of differential absorption spectra is found to be disturbed by optical artifacts under certain conditions. With the help of the proposed correction formalism, differential spectra and the decay dynamics can be characterized on the full device of thin-film solar cells in transmission mode and yield accurate and reliable results to provide design rules for further progress.},
  language  = {en}
}
@article{FritschKurpiersRolandetal.2022,
  author    = {Fritsch, Tobias and Kurpiers, Jona and Roland, Steffen and Tokmoldin, Nurlan and Shoaee, Safa and Ferron, Thomas and Collins, Brian A. and Janietz, Silvia and Vandewal, Koen and Neher, Dieter},
  title     = {On the interplay between CT and singlet exciton emission in organic solar cells with small driving force and its impact on voltage loss},
  series = {Advanced energy materials},
  volume    = {12},
  journal   = {Advanced energy materials},
  number    = {31},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1614-6832},
  doi       = {10.1002/aenm.202200641},
  pages     = {11},
  year      = {2022},
  abstract  = {The interplay between free charge carriers, charge transfer (CT) states and singlet excitons (S-1) determines the recombination pathway and the resulting open circuit voltage (V-OC) of organic solar cells. By combining a well-aggregated low bandgap polymer with different blend ratios of the fullerenes PCBM and ICBA, the energy of the CT state (E-CT) is varied by 130 meV while leaving the S-1 energy of the polymer (ES1\[{E_{{{\rm{S}}_1}}}\]) unaffected. It is found that the polymer exciton dominates the radiative properties of the blend when ECT\[{E_{{\rm{CT}}}}\] approaches ES1\[{E_{{{\rm{S}}_1}}}\], while the V-OC remains limited by the non-radiative decay of the CT state. It is concluded that an increasing strength of the exciton in the optical spectra of organic solar cells will generally decrease the non-radiative voltage loss because it lowers the radiative V-OC limit (V-OC,V-rad), but not because it is more emissive. The analysis further suggests that electronic coupling between the CT state and the S-1 will not improve the V-OC, but rather reduce the V-OC,V-rad. It is anticipated that only at very low CT state absorption combined with a fairly high CT radiative efficiency the solar cell benefit from the radiative properties of the singlet excitons.},
  language  = {en}
}
@article{YeZhangWarbyetal.2022,
  author    = {Ye, Fangyuan and Zhang, Shuo and Warby, Jonathan and Wu, Jiawei and Gutierrez-Partida, Emilio and Lang, Felix and Shah, Sahil and Saglamkaya, Elifnaz and Sun, Bowen and Zu, Fengshuo and Shoai, Safa and Wang, Haifeng and Stiller, Burkhard and Neher, Dieter and Zhu, Wei-Hong and Stolterfoht, Martin and Wu, Yongzhen},
  title     = {Overcoming C₆₀-induced interfacial recombination in inverted perovskite solar cells by electron-transporting carborane},
  series = {Nature Communications},
  volume    = {13},
  journal   = {Nature Communications},
  publisher = {Springer Nature},
  address   = {London},
  issn      = {2041-1723},
  doi       = {10.1038/s41467-022-34203-x},
  pages     = {12},
  year      = {2022},
  abstract  = {Inverted perovskite solar cells still suffer from significant non-radiative recombination losses at the perovskite surface and across the perovskite/C₆₀ interface, limiting the future development of perovskite-based single- and multi-junction photovoltaics. Therefore, more effective inter- or transport layers are urgently required. To tackle these recombination losses, we introduce ortho-carborane as an interlayer material that has a spherical molecular structure and a three-dimensional aromaticity. Based on a variety of experimental techniques, we show that ortho-carborane decorated with phenylamino groups effectively passivates the perovskite surface and essentially eliminates the non-radiative recombination loss across the perovskite/C₆₀ interface with high thermal stability. We further demonstrate the potential of carborane as an electron transport material, facilitating electron extraction while blocking holes from the interface. The resulting inverted perovskite solar cells deliver a power conversion efficiency of over 23\% with a low non-radiative voltage loss of 110 mV, and retain >97\% of the initial efficiency after 400 h of maximum power point tracking. Overall, the designed carborane based interlayer simultaneously enables passivation, electron-transport and hole-blocking and paves the way toward more efficient and stable perovskite solar cells.},
  language  = {en}
}
@article{VilkAghionNathanetal.2022,
  author    = {Vilk, Ohad and Aghion, Erez and Nathan, Ran and Toledo, Sivan and Metzler, Ralf and Assaf, Michael},
  title     = {Classification of anomalous diffusion in animal movement data using power spectral analysis},
  series = {Journal of physics : A, Mathematical and theoretical},
  volume    = {55},
  journal   = {Journal of physics : A, Mathematical and theoretical},
  number    = {33},
  publisher = {IOP Publishing},
  address   = {Bristol},
  issn      = {1751-8113},
  doi       = {10.1088/1751-8121/ac7e8f},
  pages     = {16},
  year      = {2022},
  abstract  = {The field of movement ecology has seen a rapid increase in high-resolution data in recent years, leading to the development of numerous statistical and numerical methods to analyse relocation trajectories. Data are often collected at the level of the individual and for long periods that may encompass a range of behaviours. Here, we use the power spectral density (PSD) to characterise the random movement patterns of a black-winged kite (Elanus caeruleus) and a white stork (Ciconia ciconia). The tracks are first segmented and clustered into different behaviours (movement modes), and for each mode we measure the PSD and the ageing properties of the process. For the foraging kite we find 1/f noise, previously reported in ecological systems mainly in the context of population dynamics, but not for movement data. We further suggest plausible models for each of the behavioural modes by comparing both the measured PSD exponents and the distribution of the single-trajectory PSD to known theoretical results and simulations.},
  language  = {en}
}
@article{SajediKrivenkovMarchenkoetal.2022,
  author    = {Sajedi, Maryam and Krivenkov, Maxim and Marchenko, Dmitry and Sanchez-Barriga, Jaime and Chandran, Anoop K. and Varykhalov, Andrei and Rienks, Emile D. L. and Aguilera, Irene and Bl{\"u}gel, Stefan and Rader, Oliver},
  title     = {Is there a polaron signature in Angle-Resolved Photoemission of CsPbBr3?},
  series = {Physical review letters},
  volume    = {128},
  journal   = {Physical review letters},
  number    = {17},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {0031-9007},
  doi       = {10.1103/PhysRevLett.128.176405},
  pages     = {7},
  year      = {2022},
  abstract  = {The formation of large polarons has been proposed as reason for the high defect tolerance, low mobility, low charge carrier trapping, and low nonradiative recombination rates of lead halide perovskites. Recently, direct evidence for large-polaron formation has been reported from a 50\% effective mass enhancement in angle-resolved photoemission of CsPbBr3 over theory for the orthorhombic structure. We present in-depth band dispersion measurements of CsPbBr3 and GW calculations, which lead to similar effective masses at the valence band maximum of 0.203 1 0.016 m0 in experiment and 0.226 m0 in orthorhombic theory. We argue that the effective mass can be explained solely on the basis of electron-electron correlation and largepolaron formation cannot be concluded from photoemission data.},
  language  = {en}
}
@article{PerdigonToroLeQuangPhuongElleretal.2022,
  author    = {Perdigon-Toro, Lorena and Le Quang Phuong, and Eller, Fabian and Freychet, Guillaume and Saglamkaya, Elifnaz and Khan, Jafar and Wei, Qingya and Zeiske, Stefan and Kroh, Daniel and Wedler, Stefan and Koehler, Anna and Armin, Ardalan and Laquai, Frederic and Herzig, Eva M. and Zou, Yingping and Shoaee, Safa and Neher, Dieter},
  title     = {Understanding the role of order in Y-series non-fullerene solar cells to realize high open-circuit voltages},
  series = {Advanced energy materials},
  volume    = {12},
  journal   = {Advanced energy materials},
  number    = {12},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1614-6832},
  doi       = {10.1002/aenm.202103422},
  pages     = {13},
  year      = {2022},
  abstract  = {Non-fullerene acceptors (NFAs) as used in state-of-the-art organic solar cells feature highly crystalline layers that go along with low energetic disorder. Here, the crucial role of energetic disorder in blends of the donor polymer PM6 with two Y-series NFAs, Y6, and N4 is studied. By performing temperature-dependent charge transport and recombination studies, a consistent picture of the shape of the density of state distributions for free charges in the two blends is developed, allowing an analytical description of the dependence of the open-circuit voltage V-OC on temperature and illumination intensity. Disorder is found to influence the value of the V-OC at room temperature, but also its progression with temperature. Here, the PM6:Y6 blend benefits substantially from its narrower state distributions. The analysis also shows that the energy of the equilibrated free charge population is well below the energy of the NFA singlet excitons for both blends and possibly below the energy of the populated charge transfer manifold, indicating a down-hill driving force for free charge formation. It is concluded that energetic disorder of charge-separated states has to be considered in the analysis of the photovoltaic properties, even for the more ordered PM6:Y6 blend.},
  language  = {en}
}
@article{GuoNiFuetal.2022,
  author    = {Guo, Yingjie and Ni, Binbin and Fu, Song and Wang, Dedong and Shprits, Yuri Y. and Zhelavskaya, Irina and Feng, Minghang and Guo, Deyu},
  title     = {Identification of controlling geomagnetic and solar wind factors for magnetospheric chorus intensity using feature selection techniques},
  series = {Journal of geophysical research : A, Space physics},
  volume    = {127},
  journal   = {Journal of geophysical research : A, Space physics},
  number    = {1},
  publisher = {Wiley},
  address   = {Hoboken, NJ},
  issn      = {2169-9380},
  doi       = {10.1029/2021JA029926},
  pages     = {14},
  year      = {2022},
  abstract  = {Using over-5-year EMFISIS wave measurements from Van Allen Probes, we present a detailed survey to identify the controlling factors among the geomagnetic indices and solar wind parameters for the 1-min root mean square amplitudes of lower band chorus (LBC) and upper band chorus (UBC). A set of important features are automatically determined by feature selection techniques, namely, Random Forest and Maximum Relevancy Minimum Redundancy. Our analysis results indicate the AE index with zero-time-delay dominates the intensity evolution of LBC and UBC, consistent with the evidence that chorus waves prefer to occur and amplify during enhanced substorm periods. Regarding solar wind parameters, solar wind speed and IMF B-z are identified as the controlling factors for chorus wave intensity. Using the combination of all these important features, a predictive neural network model of chorus wave intensity is established to reconstruct the temporal variations of chorus wave intensity, for which application of Random Forest produces the overall best performance. Plain Language Summary Whistler mode chorus waves are electromagnetic waves observed in the low-density region near the geomagnetic equator outside the plasmapause. The dynamics of Earth's radiation belts are largely influenced by chorus waves owing to their dual contributions to both radiation belt electron acceleration and loss. In this study, we use feature selection techniques to identify the controlling geomagnetic and solar wind factors for magnetospheric chorus waves. Feature selection techniques implement the processes which can select the features most influential to the output. In this study, the inputs are geomagnetic indices and solar wind parameters and the output is the chorus wave intensity. The results indicate that AE index with zerotime delay dominates the chorus wave intensity. Furthermore, solar wind speed and IMF B-z are identified as the most important solar wind drivers for chorus wave intensity. On basis of the combination of all these important geomagnetic and solar wind controlling factors, we develop a neural network model of chorus wave intensity, and find that the model with the inputs identified using the Random Forest method produces the overall best performance.},
  language  = {en}
}
@article{ProlSmirnovHoqueetal.2022,
  author    = {Prol, Fabricio S. and Smirnov, Artem G. and Hoque, M. Mainul and Shprits, Yuri Y.},
  title     = {Combined model of topside ionosphere and plasmasphere derived from radio-occultation and Van Allen Probes data},
  series = {Scientific reports},
  volume    = {12},
  journal   = {Scientific reports},
  number    = {1},
  publisher = {Macmillan Publishers Limited, part of Springer Nature},
  address   = {London},
  issn      = {2045-2322},
  doi       = {10.1038/s41598-022-13302-1},
  pages     = {11},
  year      = {2022},
  abstract  = {In the last years, electron density profile functions characterized by a linear dependence on the scale height showed good results when approximating the topside ionosphere. The performance above 800 km, however, is not yet well investigated. This study investigates the capability of the semi-Epstein functions to represent electron density profiles from the peak height up to 20,000 km. Electron density observations recorded by the Van Allen Probes were used to resolve the scale height dependence in the plasmasphere. It was found that the linear dependence of the scale height in the topside ionosphere cannot be directly used to extrapolate profiles above 800 km. We find that the dependence of scale heights on altitude is quadratic in the plasmasphere. A statistical model of the scale heights is therefore proposed. After combining the topside ionosphere and plasmasphere by a unified model, we have obtained good estimations not only in the profile shapes, but also in the Total Electron Content magnitude and distributions when compared to actual measurements from 2013, 2014, 2016 and 2017. Our investigation shows that Van Allen Probes can be merged to radio-occultation data to properly represent the upper ionosphere and plasmasphere by means of a semi-Epstein function.},
  language  = {en}
}
@article{YuanZhangQiuetal.2022,
  author    = {Yuan, Jun and Zhang, Chujun and Qiu, Beibei and Liu, Wei and So, Shu Kong and Mainville, Mathieu and Leclerc, Mario and Shoaee, Safa and Neher, Dieter and Zou, Yingping},
  title     = {Effects of energetic disorder in bulk heterojunction organic solar cells},
  series = {Energy \& environmental science},
  volume    = {15},
  journal   = {Energy \& environmental science},
  number    = {7},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1754-5692},
  doi       = {10.1039/d2ee00271j},
  pages     = {2806 -- 2818},
  year      = {2022},
  abstract  = {Organic solar cells (OSCs) have progressed rapidly in recent years through the development of novel organic photoactive materials, especially non-fullerene acceptors (NFAs). Consequently, OSCs based on state-of-the-art NFAs have reached significant milestones, such as similar to 19\% power conversion efficiencies (PCEs) and small energy losses (less than 0.5 eV). Despite these significant advances, understanding of the interplay between molecular structure and optoelectronic properties lags significantly behind. For example, despite the theoretical framework for describing the energetic disorder being well developed for the case of inorganic semiconductors, the question of the applicability of classical semiconductor theories in analyzing organic semiconductors is still under debate. A general observation in the inorganic field is that inorganic photovoltaic materials possessing a polycrystalline microstructure exhibit suppressed disorder properties and better charge carrier transport compared to their amorphous analogs. Accordingly, this principle extends to the organic semiconductor field as many organic photovoltaic materials are synthesized to pursue polycrystalline-like features. Yet, there appears to be sporadic examples that exhibit an opposite trend. However, full studies decoupling energetic disorder from aggregation effects have largely been left out. Hence, the potential role of the energetic disorder in OSCs has received little attention. Interestingly, recently reported state-of-the-art NFA-based devices could achieve a small energetic disorder and high PCE at the same time; and interest in this investigation related to the disorder properties in OSCs was revived. In this contribution, progress in terms of the correlation between molecular design and energetic disorder is reviewed together with their effects on the optoelectronic mechanism and photovoltaic performance. Finally, the specific challenges and possible solutions in reducing the energetic disorder of OSCs from the viewpoint of materials and devices are proposed.},
  language  = {en}
}
@article{KrohEllerSchoetzetal.2022,
  author    = {Kroh, Daniel and Eller, Fabian and Sch{\"o}tz, Konstantin and Wedler, Stefan and Perdig{\´o}n-Toro, Lorena and Freychet, Guillaume and Wei, Qingya and D{\"o}rr, Maximilian and Jones, David and Zou, Yingping and Herzig, Eva M. and Neher, Dieter and K{\"o}hler, Anna},
  title     = {Identifying the signatures of intermolecular interactions in blends of PM6 with Y6 and N4 using absorption spectroscopy},
  series = {Advanced functional materials},
  volume    = {32},
  journal   = {Advanced functional materials},
  number    = {44},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1616-301X},
  doi       = {10.1002/adfm.202205711},
  pages     = {14},
  year      = {2022},
  abstract  = {In organic solar cells, the resulting device efficiency depends strongly on the local morphology and intermolecular interactions of the blend film. Optical spectroscopy was used to identify the spectral signatures of interacting chromophores in blend films of the donor polymer PM6 with two state-of-the-art nonfullerene acceptors, Y6 and N4, which differ merely in the branching point of the side chain. From temperature-dependent absorption and luminescence spectroscopy in solution, it is inferred that both acceptor materials form two types of aggregates that differ in their interaction energy. Y6 forms an aggregate with a predominant J-type character in solution, while for N4 molecules the interaction is predominantly in a H-like manner in solution and freshly spin-cast film, yet the molecules reorient with respect to each other with time or thermal annealing to adopt a more J-type interaction. The different aggregation behavior of the acceptor materials is also reflected in the blend films and accounts for the different solar cell efficiencies reported with the two blends.},
  language  = {en}
}
@article{RashtiFabbriBruegmannetal.2022,
  author    = {Rashti, Alireza and Fabbri, Francesco Maria and Br{\"u}gmann, Bernd and Chaurasia, Swami Vivekanandji and Dietrich, Tim and Ujevic, Maximiliano and Tichy, Wolfgang},
  title     = {New pseudospectral code for the construction of initial data},
  series = {Physical review D},
  volume    = {105},
  journal   = {Physical review D},
  number    = {10},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0010},
  doi       = {10.1103/PhysRevD.105.104027},
  pages     = {18},
  year      = {2022},
  abstract  = {Numerical studies of the dynamics of gravitational systems, e.g., black hole-neutron star systems, require physical and constraint-satisfying initial data. In this article, we present the newly developed pseudospectral code ELLIPTICA, an infrastructure for construction of initial data for various binary and single gravitational systems of all kinds. The elliptic equations under consideration are solved on a single spatial hypersurface of the spacetime manifold. Using coordinate maps, the hypersurface is covered by patches whose boundaries can adapt to the surface of the compact objects. To solve elliptic equations with arbitrary boundary condition, ELLIPTICA deploys a Schur complement domain decomposition method with a direct solver. In this version, we use cubed sphere coordinate maps and the fields are expanded using Chebyshev polynomials of the first kind. Here, we explain the building blocks of ELLIPTICA and the initial data construction algorithm for a black hole-neutron star binary system. We perform convergence tests and evolve the data to validate our results. Within our framework, the neutron star can reach spin values close to breakup with arbitrary direction, while the black hole can have arbitrary spin with dimensionless spin magnitude ∼0.8.},
  language  = {en}
}
@article{KunertPangTewsetal.2022,
  author    = {Kunert, Nina and Pang, Peter T. H. and Tews, Ingo and Coughlin, Michael W. and Dietrich, Tim},
  title     = {Quantifying modeling uncertainties when combining multiple gravitational-wave detections from binary neutron star sources},
  series = {Physical review D},
  volume    = {105},
  journal   = {Physical review D},
  number    = {6},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0010},
  doi       = {10.1103/PhysRevD.105.L061301},
  pages     = {7},
  year      = {2022},
  abstract  = {With the increasing sensitivity of gravitational-wave detectors, we expect to observe multiple binary neutron-star systems through gravitational waves in the near future. The combined analysis of these gravitational-wave signals offers the possibility to constrain the neutron-star radius and the equation of state of dense nuclear matter with unprecedented accuracy. However, it is crucial to ensure that uncertainties inherent in the gravitational-wave models will not lead to systematic biases when information from multiple detections is combined. To quantify waveform systematics, we perform an extensive simulation campaign of binary neutron-star sources and analyze them with a set of four different waveform models. For our analysis with 38 simulations, we find that statistical uncertainties in the neutron-star radius decrease to 1250 m (2\% at 90\% credible interval) but that systematic differences between currently employed waveform models can be twice as large. Hence, it will be essential to ensure that systematic biases will not become dominant in inferences of the neutron-star equation of state when capitalizing on future developments.},
  language  = {en}
}
@article{RieseVogelsangSchroederetal.2022,
  author    = {Riese, Josef and Vogelsang, Christoph and Schr{\"o}der, Jan and Borowski, Andreas and Kulgemeyer, Christoph and Reinhold, Peter and Schecker, Horst},
  title     = {The development of lesson planning skills in the subject of physics},
  series = {Zeitschrift f{\"u}r Erziehungswissenschaft},
  journal   = {Zeitschrift f{\"u}r Erziehungswissenschaft},
  number    = {4},
  publisher = {Springer VS/Springer Fachmedien Wiesbaden GmbH},
  address   = {Wiesbaden},
  issn      = {1434-663X},
  doi       = {10.1007/s11618-022-01112-0},
  pages     = {843 -- 867},
  year      = {2022},
  abstract  = {One main goal of university teacher education is the first acquisition of skills for theory-driven lesson planning. According to models of teachers' professional competence, it is assumed that the acquired professional knowledge represents an essential basis for the development of planning skills. Learning opportunities to apply this professional knowledge often occur in school internships, usually in advanced semesters of teacher education programs. It is also assumed that practical experience within lesson planning supports the formation of professional knowledge. However, the relationship between the extent of professional knowledge and the development of skills to plan a lesson lacks evidence. There is a particular challenge in measuring lesson planning skills both authentically and standardized. To evaluate the mentioned relationship, a longitudinal pre-post-study with prospective physics-teachers (N = 68 in the longitudinal section) was conducted at four German universities. Pre-service physics teachers' skills to plan a lesson were assessed with a standardized performance assessment at the beginning and at the end of a longterm-internship. This assessment consists of planning a physics lesson, conveying Newton's third Law, in a simulated and standardized way with limited time. In addition, content knowledge, pedagogical content knowledge and pedagogical knowledge has been assessed using standardized instruments. Furthermore, additional information about the internship and the amount of learning opportunities was collected at the end of the internship. During the internship, both lesson planning skills and all components of professional knowledge increased. Cross-Lagged-Panel-Analyses reveal that in particular pre-service teachers' pedagogical content knowledge as well as pedagogical knowledge at the beginning of the internship influences the development of lesson planning skills.},
  language  = {de}
}
@article{OskinovaSchaerer2022,
  author    = {Oskinova, Lida and Schaerer, Daniel},
  title     = {Ionization of He II in star-forming galaxies by X-rays from cluster winds and superbubbles},
  series = {Astronomy and astrophysics : an international weekly journal},
  volume    = {661},
  journal   = {Astronomy and astrophysics : an international weekly journal},
  publisher = {EDP Sciences},
  address   = {Les Ulis},
  issn      = {0004-6361},
  doi       = {10.1051/0004-6361/202142520},
  pages     = {6},
  year      = {2022},
  abstract  = {The nature of the sources powering nebular He II emission in star-forming galaxies remains debated, and various types of objects have been considered, including Wolf-Rayet stars, X-ray binaries, and Population III stars. Modern X-ray observations show the ubiquitous presence of hot gas filling star-forming galaxies. We use a collisional ionization plasma code to compute the specific He II ionizing flux produced by hot gas and show that if its temperature is not too high (less than or similar to 2.5 MK), then the observed levels of soft diffuse X-ray radiation could explain He II ionization in galaxies. To gain a physical understanding of this result, we propose a model that combines the hydrodynamics of cluster winds and hot superbubbles with observed populations of young massive clusters in galaxies. We find that in low-metallicity galaxies, the temperature of hot gas is lower and the production rate of He II ionizing photons is higher compared to high-metallicity galaxies. The reason is that the slower stellar winds of massive stars in lower-metallicity galaxies input less mechanical energy in the ambient medium. Furthermore, we show that ensembles of star clusters up to similar to 10-20 Myr old in galaxies can produce enough soft X-rays to induce nebular He II emission. We discuss observations of the template low-metallicity galaxy I Zw 18 and suggest that the He II nebula in this galaxy is powered by a hot superbubble. Finally, appreciating the complex nature of stellar feedback, we suggest that soft X-rays from hot superbubbles are among the dominant sources of He II ionizing flux in low-metallicity star-forming galaxies.},
  language  = {en}
}
@article{SharmaBekirLomadzeetal.2022,
  author    = {Sharma, Anjali and Bekir, Marek and Lomadze, Nino and Jung, Se-Hyeong and Pich, Andrij and Santer, Svetlana},
  title     = {Generation of local diffusioosmotic flow by light responsive microgels},
  series = {Langmuir},
  volume    = {38},
  journal   = {Langmuir},
  number    = {20},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {0743-7463},
  doi       = {10.1021/acs.langmuir.2c00259},
  pages     = {6343 -- 6351},
  year      = {2022},
  abstract  = {Here we show that microgels trapped at a solid wall can issue liquid flow and transport over distances several times larger than the particle size. The microgel consists of cross-linked poly(N-isopropylacrylamide-co-acrylic acid) (PNIPAM-AA) polymer chains loaded with cationic azobenzene-containing surfactant, which can assume either a trans-or a cis-state depending on the wavelength of the applied irradiation. The microgel, being a selective absorber of trans-isomers, responds by changing its volume under irradiation with light of appropriate wavelength at which the cis-isomers of the surfactant molecules diffuse out of the particle interior. Together with the change in particle size, the expelled cis-isomers form an excess of the concentration and subsequent gradient in osmotic pressure generating a halo of local light-driven diffusioosmotic (l-LDDO) flow. The direction and the strength of the l-LDDO depends on the intensity and irradiation wavelength, as well as on the amount of surfactant absorbed by the microgel. The flow pattern around a microgel is directed radially outward and can be maintained quasi-indefinitely under exposure to blue light when the trans-/cis-ratio is 2/1, establishing a photostationary state. Irradiation with UV light, on the other hand, generates a radially transient flow pattern, which inverts from inward to outward over time at low intensities. By measuring the displacement of tracer particles around neutral microgels during a temperature-induced collapse, we can exclude that a change in particle shape itself causes the flow, i.e., just by expulsion or uptake of water. Ultimately, it is its ability to selectively absorb two isomers of photosensitive surfactant under different irradiation conditions that leads to an effective pumping caused by a self-induced diffusioosmotic flow.},
  language  = {en}
}
@article{MishurovaStegemannLyamkinetal.2022,
  author    = {Mishurova, Tatiana and Stegemann, Robert and Lyamkin, Viktor and Cabeza, Sandra and Evsevleev, Sergei and Pelkner, Matthias and Bruno, Giovanni},
  title     = {Subsurface and bulk residual stress analysis of S235JRC+C Steel TIG weld by diffraction and magnetic stray field measurements},
  series = {Experimental mechanics : an international journal of the Society for Experimental Mechanics},
  volume    = {62},
  journal   = {Experimental mechanics : an international journal of the Society for Experimental Mechanics},
  number    = {6},
  publisher = {Springer},
  address   = {New York},
  issn      = {0014-4851},
  doi       = {10.1007/s11340-022-00841-x},
  pages     = {1017 -- 1025},
  year      = {2022},
  abstract  = {Background Due to physical coupling between mechanical stress and magnetization in ferromagnetic materials, it is assumed in the literature that the distribution of the magnetic stray field corresponds to the internal (residual) stress of the specimen. The correlation is, however, not trivial, since the magnetic stray field is also influenced by the microstructure and the geometry of component. The understanding of the correlation between residual stress and magnetic stray field could help to evaluate the integrity of welded components. Objective This study aims at understanding the possible correlation of subsurface and bulk residual stress with magnetic stray field in a low carbon steel weld. Methods The residual stress was determined by synchrotron X-ray diffraction (SXRD, subsurface region) and by neutron diffraction (ND, bulk region). SXRD possesses a higher spatial resolution than ND. Magnetic stray fields were mapped by utilizing high-spatial-resolution giant magneto resistance (GMR) sensors. Results The subsurface residual stress overall correlates better with the magnetic stray field distribution than the bulk stress. This correlation is especially visible in the regions outside the heat affected zone, where the influence of the microstructural features is less pronounced but steep residual stress gradients are present. Conclusions It was demonstrated that the localized stray field sources without any obvious microstructural variations are associated with steep stress gradients. The good correlation between subsurface residual stress and magnetic signal indicates that the source of the magnetic stray fields is to be found in the range of the penetration depth of the SXRD measurements.},
  language  = {en}
}
@article{SteigertKojdaIbacetaJanaetal.2022,
  author    = {Steigert, Alexander and Kojda, Sandrino Danny and Ibaceta-Ja{\~n}a, Josefa Fernanda and Abou-Ras, Daniel and Gunder, Ren{\´e} and Alktash, Nivin and Habicht, Klaus and Wagner, Markus Raphael and Klenk, Reiner and Raoux, Simone and Szyszka, Bernd and Lauermann, Iver and Muydinov, Ruslan},
  title     = {Water-assisted crystallization of amorphous indium zinc oxide films},
  series = {Materials today. Communications},
  volume    = {31},
  journal   = {Materials today. Communications},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {2352-4928},
  doi       = {10.1016/j.mtcomm.2022.103213},
  pages     = {10},
  year      = {2022},
  abstract  = {Transparent conductive materials based on indium oxide remain yet irreplaceable in various optoelectronic applications. Amorphous oxides appear especially attractive for technology as they are isotropic, demonstrate relatively high electron mobility and can be processed at low temperatures. Among them is indium zinc oxide (IZO) with a large zinc content that is crucial for keeping the amorphous state but redundant for the doping. In this work we investigated water-free and water containing IZO films obtained by radio frequency sputtering. The correlation between temperature driven changes of the chemical state, the optical and electrical properties as well as the progression of crystallization was in focus. Such characterization methods as: scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, temperature dependent Hall-effect measurements and others were applied. Temperature dependent electrical properties of amorphous IZO and IZO:H2O films were found to evolve similarly. Based on our experience in In2O3:H2O (In2O3:H or IOH) we proposed an explanation for the changes observed. Water admixture was found to decrease crystallization temperature of IZO significantly from similar to 550 degrees C to similar to 280 degrees C. Herewith, the presence and concentration of water and/or hydroxyls was found to determine Zn distribution in the film. In particular, Zn enrichment was detected at the film's surface respective to the high water and/or hydroxyl amount. Raman spectra revealed a two-dimensional crystallization of w-ZnO which precedes regardless water presence an extensive In2O3 crystallization. An abrupt loss of electron mobility as a result of crystallization was attributed to the formation of ZnO interlayer on grain boundaries.},
  language  = {en}
}
@article{LepriPikovsky2022,
  author    = {Lepri, Stefano and Pikovsky, Arkady},
  title     = {Phase-locking dynamics of heterogeneous oscillator arrays},
  series = {Chaos, solitons \& fractals : applications in science and engineering ; an interdisciplinary journal of nonlinear science},
  volume    = {155},
  journal   = {Chaos, solitons \& fractals : applications in science and engineering ; an interdisciplinary journal of nonlinear science},
  publisher = {Elsevier},
  address   = {Oxford},
  issn      = {0960-0779},
  doi       = {10.1016/j.chaos.2021.111721},
  pages     = {8},
  year      = {2022},
  abstract  = {We consider an array of nearest-neighbor coupled nonlinear autonomous oscillators with quenched ran-dom frequencies and purely conservative coupling. We show that global phase-locked states emerge in finite lattices and study numerically their destruction. Upon change of model parameters, such states are found to become unstable with the generation of localized periodic and chaotic oscillations. For weak nonlinear frequency dispersion, metastability occur akin to the case of almost-conservative systems. We also compare the results with the phase-approximation in which the amplitude dynamics is adiabatically eliminated.},
  language  = {en}
}
@article{DudiDietrichRashtietal.2022,
  author    = {Dudi, Reetika and Dietrich, Tim and Rashti, Alireza and Br{\"u}gmann, Bernd and Steinhoff, Jan and Tichy, Wolfgang},
  title     = {High-accuracy simulations of highly spinning binary neutron star systems},
  series = {Physical review : D, Particles, fields, gravitation, and cosmology},
  volume    = {105},
  journal   = {Physical review : D, Particles, fields, gravitation, and cosmology},
  number    = {6},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0010},
  doi       = {10.1103/PhysRevD.105.064050},
  pages     = {13},
  year      = {2022},
  abstract  = {With an increasing number of expected gravitational-wave detections of binary neutron star mergers, it is essential that gravitational-wave models employed for the analysis of observational data are able to describe generic compact binary systems. This includes systems in which the individual neutron stars are millisecond pulsars for which spin effects become essential. In this work, we perform numerical-relativity simulations of binary neutron stars with aligned and antialigned spins within a range of dimensionless spins of chi similar to [-0.28, 0.58]. The simulations are performed with multiple resolutions, show a clear convergence order and, consequently, can be used to test existing waveform approximants. We find that for very high spins gravitational-wave models that have been employed for the interpretation of GW170817 and GW190425 arc not capable of describing our numerical-relativity dataset. We verify through a full parameter estimation study in which clear biases in the estimate of the tidal deformability and effective spin are present. We hope that in preparation of the next gravitational-wave observing run of the Advanced LIGO and Advanced Virgo detectors our new set of numerical-relativity data can be used to support future developments of new gravitational-wave models.},
  language  = {en}
}
@article{ZeiskeSandbergZarrabietal.2022,
  author    = {Zeiske, Stefan and Sandberg, Oskar J. and Zarrabi, Nasim and Wolff, Christian Michael and Raoufi, Meysam and Pe{\~n}a-Camargo, Francisco and Gutierrez-Partida, Emilio and Meredith, Paul and Stolterfoht, Martin and Armin, Ardalan},
  title     = {Static disorder in lead halide perovskites},
  series = {The journal of physical chemistry letters},
  volume    = {13},
  journal   = {The journal of physical chemistry letters},
  number    = {31},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1948-7185},
  doi       = {10.1021/acs.jpclett.2c01652},
  pages     = {7280 -- 7285},
  year      = {2022},
  abstract  = {In crystalline and amorphous semiconductors, the temperature-dependent Urbach energy can be determined from the inverse slope of the logarithm of the absorption spectrum and reflects the static and dynamic energetic disorder. Using recent advances in the sensitivity of photocurrent spectroscopy methods, we elucidate the temperature-dependent Urbach energy in lead halide perovskites containing different numbers of cation components. We find Urbach energies at room temperature to be 13.0 +/- 1.0, 13.2 +/- 1.0, and 13.5 +/- 1.0 meV for single, double, and triple cation perovskite. Static, temperature-independent contributions to the Urbach energy are found to be as low as 5.1 ?+/- 0.5, 4.7 +/- 0.3, and 3.3 +/- 0.9 meV for the same systems. Our results suggest that, at a low temperature, the dominant static disorder in perovskites is derived from zero-point phonon energy rather than structural disorder. This is unusual for solution-processed semiconductors but broadens the potential application of perovskites further to quantum electronics and devices.},
  language  = {en}
}
@article{SmirnovShpritsAllisonetal.2022,
  author    = {Smirnov, Artem and Shprits, Yuri Y. and Allison, Hayley and Aseev, Nikita and Drozdov, Alexander and Kollmann, Peter and Wang, Dedong and Saikin, Anthony},
  title     = {An empirical model of the equatorial electron pitch angle distributions in earth's outer radiation belt},
  series = {Space Weather: the International Journal of Research and Applications},
  volume    = {20},
  journal   = {Space Weather: the International Journal of Research and Applications},
  number    = {9},
  publisher = {American Geophysical Union},
  address   = {Washington, DC},
  issn      = {1542-7390},
  doi       = {10.1029/2022SW003053},
  pages     = {17},
  year      = {2022},
  abstract  = {In this study, we present an empirical model of the equatorial electron pitch angle distributions (PADs) in the outer radiation belt based on the full data set collected by the Magnetic Electron Ion Spectrometer (MagEIS) instrument onboard the Van Allen Probes in 2012-2019. The PADs are fitted with a combination of the first, third and fifth sine harmonics. The resulting equation resolves all PAD types found in the outer radiation belt (pancake, flat-top, butterfly and cap PADs) and can be analytically integrated to derive omnidirectional flux. We introduce a two-step modeling procedure that for the first time ensures a continuous dependence on L, magnetic local time and activity, parametrized by the solar wind dynamic pressure. We propose two methods to reconstruct equatorial electron flux using the model. The first approach requires two uni-directional flux observations and is applicable to low-PA data. The second method can be used to reconstruct the full equatorial PADs from a single uni- or omnidirectional measurement at off-equatorial latitudes. The model can be used for converting the long-term data sets of electron fluxes to phase space density in terms of adiabatic invariants, for physics-based modeling in the form of boundary conditions, and for data assimilation purposes.},
  language  = {en}
}
@article{TockhornSutterCruzBournazouetal.2022,
  author    = {Tockhorn, Philipp and Sutter, Johannes and Cruz Bournazou, Alexandros and Wagner, Philipp and J{\"a}ger, Klaus and Yoo, Danbi and Lang, Felix and Grischek, Max and Li, Bor and Li, Jinzhao and Shargaieva, Oleksandra and Unger, Eva and Al-Ashouri, Amran and K{\"o}hnen, Eike and Stolterfoht, Martin and Neher, Dieter and Schlatmann, Rutger and Rech, Bernd and Stannowski, Bernd and Albrecht, Steve and Becker, Christiane},
  title     = {Nano-optical designs for high-efficiency monolithic perovskite-silicon tandem solar cells},
  series = {Nature nanotechnology},
  volume    = {17},
  journal   = {Nature nanotechnology},
  number    = {11},
  publisher = {Nature Publishing Group},
  address   = {London [u.a.]},
  issn      = {1748-3387},
  doi       = {10.1038/s41565-022-01228-8},
  pages     = {1214 -- 1221},
  year      = {2022},
  abstract  = {Designing gentle sinusoidal nanotextures enables the realization of high-efficiency perovskite-silicon solar cells <br /> Perovskite-silicon tandem solar cells offer the possibility of overcoming the power conversion efficiency limit of conventional silicon solar cells. Various textured tandem devices have been presented aiming at improved optical performance, but optimizing film growth on surface-textured wafers remains challenging. Here we present perovskite-silicon tandem solar cells with periodic nanotextures that offer various advantages without compromising the material quality of solution-processed perovskite layers. We show a reduction in reflection losses in comparison to planar tandems, with the new devices being less sensitive to deviations from optimum layer thicknesses. The nanotextures also enable a greatly increased fabrication yield from 50\% to 95\%. Moreover, the open-circuit voltage is improved by 15 mV due to the enhanced optoelectronic properties of the perovskite top cell. Our optically advanced rear reflector with a dielectric buffer layer results in reduced parasitic absorption at near-infrared wavelengths. As a result, we demonstrate a certified power conversion efficiency of 29.80\%.},
  language  = {en}
}
@article{StojkoskiSandevKocarevetal.2022,
  author    = {Stojkoski, Viktor and Sandev, Trifce and Kocarev, Ljupco and Pal, Arnab},
  title     = {Autocorrelation functions and ergodicity in diffusion with stochastic resetting},
  series = {Journal of physics : A, Mathematical and theoretical},
  volume    = {55},
  journal   = {Journal of physics : A, Mathematical and theoretical},
  number    = {10},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {1751-8113},
  doi       = {10.1088/1751-8121/ac4ce9},
  pages     = {22},
  year      = {2022},
  abstract  = {Diffusion with stochastic resetting is a paradigm of resetting processes. Standard renewal or master equation approach are typically used to study steady state and other transport properties such as average, mean squared displacement etc. What remains less explored is the two time point correlation functions whose evaluation is often daunting since it requires the implementation of the exact time dependent probability density functions of the resetting processes which are unknown for most of the problems. We adopt a different approach that allows us to write a stochastic solution for a single trajectory undergoing resetting. Moments and the autocorrelation functions between any two times along the trajectory can then be computed directly using the laws of total expectation. Estimation of autocorrelation functions turns out to be pivotal for investigating the ergodic properties of various observables for this canonical model. In particular, we investigate two observables (i) sample mean which is widely used in economics and (ii) time-averaged-mean-squared-displacement (TAMSD) which is of acute interest in physics. We find that both diffusion and drift-diffusion processes with resetting are ergodic at the mean level unlike their reset-free counterparts. In contrast, resetting renders ergodicity breaking in the TAMSD while both the stochastic processes are ergodic when resetting is absent. We quantify these behaviors with detailed analytical study and corroborate with extensive numerical simulations. Our results can be verified in experimental set-ups that can track single particle trajectories and thus have strong implications in understanding the physics of resetting.},
  language  = {en}
}
@article{AdolfsHoqueShprits2022,
  author    = {Adolfs, Marjolijn and Hoque, Mohammed Mainul and Shprits, Yuri Y.},
  title     = {Storm-time relative total electron content modelling using machine learning techniques},
  series = {Remote sensing},
  volume    = {14},
  journal   = {Remote sensing},
  number    = {23},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {2072-4292},
  doi       = {10.3390/rs14236155},
  pages     = {17},
  year      = {2022},
  abstract  = {Accurately predicting total electron content (TEC) during geomagnetic storms is still a challenging task for ionospheric models. In this work, a neural-network (NN)-based model is proposed which predicts relative TEC with respect to the preceding 27-day median TEC, during storm time for the European region (with longitudes 30 degrees W-50 degrees E and latitudes 32.5 degrees N-70 degrees N). The 27-day median TEC (referred to as median TEC), latitude, longitude, universal time, storm time, solar radio flux index F10.7, global storm index SYM-H and geomagnetic activity index Hp30 are used as inputs and the output of the network is the relative TEC. The relative TEC can be converted to the actual TEC knowing the median TEC. The median TEC is calculated at each grid point over the European region considering data from the last 27 days before the storm using global ionosphere maps (GIMs) from international GNSS service (IGS) sources. A storm event is defined when the storm time disturbance index Dst drops below 50 nanotesla. The model was trained with storm-time relative TEC data from the time period of 1998 until 2019 (2015 is excluded) and contains 365 storms. Unseen storm data from 33 storm events during 2015 and 2020 were used to test the model. The UQRG GIMs were used because of their high temporal resolution (15 min) compared to other products from different analysis centers. The NN-based model predictions show the seasonal behavior of the storms including positive and negative storm phases during winter and summer, respectively, and show a mixture of both phases during equinoxes. The model's performance was also compared with the Neustrelitz TEC model (NTCM) and the NN-based quiet-time TEC model, both developed at the German Aerospace Agency (DLR). The storm model has a root mean squared error (RMSE) of 3.38 TEC units (TECU), which is an improvement by 1.87 TECU compared to the NTCM, where an RMSE of 5.25 TECU was found. This improvement corresponds to a performance increase by 35.6\%. The storm-time model outperforms the quiet-time model by 1.34 TECU, which corresponds to a performance increase by 28.4\% from 4.72 to 3.38 TECU. The quiet-time model was trained with Carrington averaged TEC and, therefore, is ideal to be used as an input instead of the GIM derived 27-day median. We found an improvement by 0.8 TECU which corresponds to a performance increase by 17\% from 4.72 to 3.92 TECU for the storm-time model using the quiet-time-model predicted TEC as an input compared to solely using the quiet-time model.},
  language  = {en}
}
@article{WalkerBoyntonShpritsetal.2022,
  author    = {Walker, Simon N. and Boynton, Richard J. and Shprits, Yuri Y. and Balikhin, Michael A. and Drozdov, Alexander},
  title     = {Forecast of the energetic electron environment of the radiation belts},
  series = {Space Weather: The International Journal of Research and Applications},
  volume    = {20},
  journal   = {Space Weather: The International Journal of Research and Applications},
  number    = {12},
  publisher = {American Geophysical Union},
  address   = {Washington},
  issn      = {1542-7390},
  doi       = {10.1029/2022SW003124},
  pages     = {21},
  year      = {2022},
  abstract  = {Different modeling methodologies possess different strengths and weakness. For instance, data based models may provide superior accuracy but have a limited spatial coverage while physics based models may provide lower accuracy but provide greater spatial coverage. This study investigates the coupling of a data based model of the electron fluxes at geostationary orbit (GEO) with a numerical model of the radiation belt region to improve the resulting forecasts/pastcasts of electron fluxes over the whole radiation belt region. In particular, two coupling methods are investigated. The first assumes an average value for L* for GEO, namely LGEO* L-GEO* = 6.2. The second uses a value of L* that varies with geomagnetic activity, quantified using the Kp index. As the terrestrial magnetic field responds to variations in geomagnetic activity, the value of L* will vary for a specific location. In this coupling method, the value of L* is calculated using the Kp driven Tsyganenko 89c magnetic field model for field line tracing. It is shown that this addition can result in changes in the initialization of the parameters at the Versatile Electron Radiation Belt model outer boundary. Model outputs are compared to Van Allen Probes MagEIS measurements of the electron fluxes in the inner magnetosphere for the March 2015 geomagnetic storm. It is found that the fixed LGEO* L-GEO* coupling method produces a more realistic forecast.},
  language  = {en}
}
@article{HaasShpritsAllisonetal.2022,
  author    = {Haas, Bernhard and Shprits, Yuri Y. and Allison, Hayley and Wutzig, Michael and Wang, Dedong},
  title     = {Which parameter controls ring current electron dynamics},
  series = {Frontiers in astronomy and space sciences},
  volume    = {9},
  journal   = {Frontiers in astronomy and space sciences},
  publisher = {Frontiers Media},
  address   = {Lausanne},
  issn      = {2296-987X},
  doi       = {10.3389/fspas.2022.911002},
  pages     = {11},
  year      = {2022},
  abstract  = {Predicting the electron population of Earth's ring current during geomagnetic storms still remains a challenging task. In this work, we investigate the sensitivity of 10 keV ring current electrons to different driving processes, parameterised by the Kp index, during several moderate and intense storms. Results are validated against measurements from the Van Allen Probes satellites. Perturbing the Kp index allows us to identify the most dominant processes for moderate and intense storms respectively. We find that during moderate storms (Kp < 6) the drift velocities mostly control the behaviour of low energy electrons, while loss from wave-particle interactions is the most critical parameter for quantifying the evolution of intense storms (Kp > 6). Perturbations of the Kp index used to drive the boundary conditions at GEO and set the plasmapause location only show a minimal effect on simulation results over a limited L range. It is further shown that the flux at L \& SIM; 3 is more sensitive to changes in the Kp index compared to higher L shells, making it a good proxy for validating the source-loss balance of a ring current model.},
  language  = {en}
}
@article{BornJohanssonLeitneretal.2022,
  author    = {Born, Artur and Johansson, Fredrik O. L. and Leitner, Torsten and Bidermane, Ieva and Kuehn, Danilo and Martensson, Nils and F{\"o}hlisch, Alexander},
  title     = {The degree of electron itinerancy and shell closing in the core-ionized state of transition metals probed by Auger-photoelectron coincidence spectroscopy},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {24},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {32},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/d2cp02477b},
  pages     = {19218 -- 19222},
  year      = {2022},
  abstract  = {Auger-photoelectron coincidence spectroscopy (APECS) has been used to examine the electron correlation and itinerance effects in transition metals Cu, Ni and Co. It is shown that the LVV Auger, in coincidence with 2p photoelectrons, spectra can be represented using atomic multiplet positions if the 3d-shell is localized (atomic-like) and with a self-convoluted valence band for band-like (itinerant) materials as explained using the Cini-Sawatzky model. For transition metals, the 3d band changes from band-like to localized with increasing atomic number, with the possibility of a mixed behavior. Our result shows that the LVV spectra of Cu can be represented by atomic multiplet calculations, those of Co resemble the self-convolution of the valence band and those of Ni are a mixture of both, consistent with the Cini-Sawatzky model.},
  language  = {en}
}
@article{MayerLeverPicconietal.2022,
  author    = {Mayer, Dennis and Lever, Fabiano and Picconi, David and Metje, Jan and Ališauskas, Skirmantas and Calegari, Francesca and D{\"u}sterer, Stefan and Ehlert, Christopher and Feifel, Raimund and Niebuhr, Mario and Manschwetus, Bastian and Kuhlmann, Marion and Mazza, Tommaso and Robinson, Matthew Scott and Squibb, Richard J. and Trabattoni, Andrea and Wallner, M{\aa}ns and Saalfrank, Peter and Wolf, Thomas J. A. and G{\"u}hr, Markus},
  title     = {Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy},
  series = {Nature communications},
  volume    = {13},
  journal   = {Nature communications},
  number    = {1},
  publisher = {Nature Research},
  address   = {Berlin},
  issn      = {2041-1723},
  doi       = {10.1038/s41467-021-27908-y},
  pages     = {9},
  year      = {2022},
  abstract  = {Imaging the charge flow in photoexcited molecules would provide key information on photophysical and photochemical processes. Here the authors demonstrate tracking in real time after photoexcitation the change in charge density at a specific site of 2-thiouracil using time-resolved X-ray photoelectron spectroscopy. The conversion of photon energy into other energetic forms in molecules is accompanied by charge moving on ultrafast timescales. We directly observe the charge motion at a specific site in an electronically excited molecule using time-resolved x-ray photoelectron spectroscopy (TR-XPS). We extend the concept of static chemical shift from conventional XPS by the excited-state chemical shift (ESCS), which is connected to the charge in the framework of a potential model. This allows us to invert TR-XPS spectra to the dynamic charge at a specific atom. We demonstrate the power of TR-XPS by using sulphur 2p-core-electron-emission probing to study the UV-excited dynamics of 2-thiouracil. The method allows us to discover that a major part of the population relaxes to the molecular ground state within 220-250 fs. In addition, a 250-fs oscillation, visible in the kinetic energy of the TR-XPS, reveals a coherent exchange of population among electronic states.},
  language  = {en}
}
@article{MayerLeverPicconietal.2022,
  author    = {Mayer, Dennis and Lever, Fabiano and Picconi, David and Metje, Jan and Ališauskas, Skirmantas and Calegari, Francesca and D{\"u}sterer, Stefan and Ehlert, Christopher and Feifel, Raimund and Niebuhr, Mario and Manschwetus, Bastian and Kuhlmann, Marion and Mazza, Tommaso and Robinson, Matthew Scott and Squibb, Richard James and Trabattoni, Andrea and Wallner, M{\aa}ns and Saalfrank, Peter and Wolf, Thomas J. A. and G{\"u}hr, Markus},
  title     = {Following excited-state chemical shifts in molecular ultrafast x-ray photoelectron spectroscopy},
  series = {Nature Communications},
  volume    = {13},
  journal   = {Nature Communications},
  publisher = {Springer Nature},
  address   = {Berlin},
  issn      = {2041-1723},
  doi       = {10.1038/s41467-021-27908-y},
  pages     = {9},
  year      = {2022},
  abstract  = {The conversion of photon energy into other energetic forms in molecules is accompanied by charge moving on ultrafast timescales. We directly observe the charge motion at a specific site in an electronically excited molecule using time-resolved x-ray photoelectron spectroscopy (TR-XPS). We extend the concept of static chemical shift from conventional XPS by the excited-state chemical shift (ESCS), which is connected to the charge in the framework of a potential model. This allows us to invert TR-XPS spectra to the dynamic charge at a specific atom. We demonstrate the power of TR-XPS by using sulphur 2p-core-electron-emission probing to study the UV-excited dynamics of 2-thiouracil. The method allows us to discover that a major part of the population relaxes to the molecular ground state within 220-250 fs. In addition, a 250-fs oscillation, visible in the kinetic energy of the TR-XPS, reveals a coherent exchange of population among electronic states.},
  language  = {en}
}
@article{LiuIgnatovaKimbergetal.2022,
  author    = {Liu, Ji-Cai and Ignatova, Nina and Kimberg, Victor and Krasnov, Pavel and F{\"o}hlisch, Alexander and Simon, Marc and Gel'mukhanov, Faris},
  title     = {Time-resolved study of recoil-induced rotation by X-ray pump - X-ray probe spectroscopy},
  series = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  volume    = {24},
  journal   = {Physical chemistry, chemical physics : a journal of European Chemical Societies},
  number    = {11},
  publisher = {Royal Society of Chemistry},
  address   = {Cambridge},
  issn      = {1463-9076},
  doi       = {10.1039/d1cp05000a},
  pages     = {6627 -- 6638},
  year      = {2022},
  abstract  = {Modern stationary X-ray spectroscopy is unable to resolve rotational structure. In the present paper, we propose to use time-resolved two color X-ray pump-probe spectroscopy with picosecond resolution for real-time monitoring of the rotational dynamics induced by the recoil effect. The proposed technique consists of two steps. The first short pump X-ray pulse ionizes the valence electron, which transfers angular momentum to the molecule. The second time-delayed short probe X-ray pulse resonantly excites a 1s electron to the created valence hole. Due to the recoil-induced angular momentum the molecule rotates and changes the orientation of transition dipole moment of core-excitation with respect to the transition dipole moment of the valence ionization, which results in a temporal modulation of the probe X-ray absorption as a function of the delay time between the pulses. We developed an accurate theory of the X-ray pump-probe spectroscopy of the recoil-induced rotation and study how the energy of the photoelectron and thermal dephasing affect the structure of the time-dependent X-ray absorption using the CO molecule as a case-study. We also discuss the feasibility of experimental observation of our theoretical findings, opening new perspectives in studies of molecular rotational dynamics.},
  language  = {en}
}
@article{VoroshninTarasovBokaietal.2022,
  author    = {Voroshnin, Vladimir and Tarasov, Artem V. and Bokai, Kirill A. and Chikina, Alla and Senkovskiy, Boris V. and Ehlen, Niels and Usachov, Dmitry Yu. and Gruneis, Alexander and Krivenkov, Maxim and Sanchez-Barriga, Jaime and Fedorov, Alexander},
  title     = {Direct spectroscopic evidence of magnetic proximity effect in MoS2 monolayer on graphene/Co},
  series = {ACS nano},
  volume    = {16},
  journal   = {ACS nano},
  number    = {5},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1936-0851},
  doi       = {10.1021/acsnano.1c10391},
  pages     = {7448 -- 7456},
  year      = {2022},
  abstract  = {A magnetic field modifies optical properties and provides valley splitting in a molybdenum disulfide (MoS2) monolayer. Here we demonstrate a scalable approach to the epitaxial synthesis of MoS2 monolayer on a magnetic graphene/Co system. Using spin- and angle-resolved photoemission spectroscopy we observe a magnetic proximity effect that causes a 20 meV spin-splitting at the (Gamma) over bar point and canting of spins at the (K) over bar point in the valence band toward the in-plane direction of cobalt magnetization. Our density functional theory calculations reveal that the in-plane spin component at (K) over bar is localized on Co atoms in the valence band, while in the conduction band it is localized on the MoS2 layer. The calculations also predict a 16 meV spin-splitting at the (Gamma) over bar point and 8 meV (K) over bar-(K) over bar' valley asymmetry for an out-of-plane magnetization. These findings suggest control over optical transitions in MoS2 via Co magnetization. Our estimations show that the magnetic proximity effect is equivalent to the action of the magnetic field as large as 100 T.},
  language  = {en}
}
@article{AbiusoHolubecAndersetal.2022,
  author    = {Abiuso, Paolo and Holubec, Viktor and Anders, Janet and Ye, Zhuolin and Cerisola, Federico and Perarnau-Llobet, Marti},
  title     = {Thermodynamics and optimal protocols of multidimensional quadratic Brownian systems},
  series = {Journal of physics communications},
  volume    = {6},
  journal   = {Journal of physics communications},
  number    = {6},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {2399-6528},
  doi       = {10.1088/2399-6528/ac72f8},
  pages     = {15},
  year      = {2022},
  abstract  = {We characterize finite-time thermodynamic processes of multidimensional quadratic overdamped systems. Analytic expressions are provided for heat, work, and dissipation for any evolution of the system covariance matrix. The Bures-Wasserstein metric between covariance matrices naturally emerges as the local quantifier of dissipation. General principles of how to apply these geometric tools to identify optimal protocols are discussed. Focusing on the relevant slow-driving limit, we show how these results can be used to analyze cases in which the experimental control over the system is partial.},
  language  = {en}
}
@article{PadashAghionSchulzetal.2022,
  author    = {Padash, Amin and Aghion, Erez and Schulz, Alexander and Barkai, Eli and Chechkin, Aleksei V. and Metzler, Ralf and Kantz, Holger},
  title     = {Local equilibrium properties of ultraslow diffusion in the Sinai model},
  series = {New journal of physics},
  volume    = {24},
  journal   = {New journal of physics},
  number    = {7},
  publisher = {IOP Publishing},
  address   = {Bristol},
  issn      = {1367-2630},
  doi       = {10.1088/1367-2630/ac7df8},
  pages     = {14},
  year      = {2022},
  abstract  = {We perform numerical studies of a thermally driven, overdamped particle in a random quenched force field, known as the Sinai model. We compare the unbounded motion on an infinite 1-dimensional domain to the motion in bounded domains with reflecting boundaries and show that the unbounded motion is at every time close to the equilibrium state of a finite system of growing size. This is due to time scale separation: inside wells of the random potential, there is relatively fast equilibration, while the motion across major potential barriers is ultraslow. Quantities studied by us are the time dependent mean squared displacement, the time dependent mean energy of an ensemble of particles, and the time dependent entropy of the probability distribution. Using a very fast numerical algorithm, we can explore times up top 10(17) steps and thereby also study finite-time crossover phenomena.},
  language  = {en}
}
@article{McKennaPfenningerHeinrichsetal.2022,
  author    = {McKenna, Russell and Pfenninger, Stefan and Heinrichs, Heidi and Schmidt, Johannes and Staffell, Iain and Bauer, Christian and Gruber, Katharina and Hahmann, Andrea N. and Jansen, Malte and Klingler, Michael and Landwehr, Natascha and Lars{\´e}n, Xiaoli Guo and Lilliestam, Johan and Pickering, Bryn and Robinius, Martin and Tr{\"o}ndle, Tim and Turkovska, Olga and Wehrle, Sebastian and Weinand, Jann Michael and Wohland, Jan},
  title     = {High-resolution large-scale onshore wind energy assessments},
  series = {Renewable energy},
  volume    = {182},
  journal   = {Renewable energy},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0960-1481},
  doi       = {10.1016/j.renene.2021.10.027},
  pages     = {659 -- 684},
  year      = {2022},
  abstract  = {The rapid uptake of renewable energy technologies in recent decades has increased the demand of energy researchers, policymakers and energy planners for reliable data on the spatial distribution of their costs and potentials. For onshore wind energy this has resulted in an active research field devoted to analysing these resources for regions, countries or globally. A particular thread of this research attempts to go beyond purely technical or spatial restrictions and determine the realistic, feasible or actual potential for wind energy. Motivated by these developments, this paper reviews methods and assumptions for analysing geographical, technical, economic and, finally, feasible onshore wind potentials. We address each of these potentials in turn, including aspects related to land eligibility criteria, energy meteorology, and technical developments of wind turbine characteristics such as power density, specific rotor power and spacing aspects. Economic aspects of potential assessments are central to future deployment and are discussed on a turbine and system level covering levelized costs depending on locations, and the system integration costs which are often overlooked in such analyses. Non-technical approaches include scenicness assessments of the landscape, constraints due to regulation or public opposition, expert and stakeholder workshops, willingness to pay/accept elicitations and socioeconomic cost-benefit studies. For each of these different potential estimations, the state of the art is critically discussed, with an attempt to derive best practice recommendations and highlight avenues for future research.},
  language  = {en}
}
@article{PenaCamargoThiesbrummelHempeletal.2022,
  author    = {Pena-Camargo, Francisco and Thiesbrummel, Jarla and Hempel, Hannes and Musiienko, Artem and Le Corre, Vincent M. and Diekmann, Jonas and Warby, Jonathan and Unold, Thomas and Lang, Felix and Neher, Dieter and Stolterfoht, Martin},
  title     = {Revealing the doping density in perovskite solar cells and its impact on device performance},
  series = {Applied physics reviews},
  volume    = {9},
  journal   = {Applied physics reviews},
  number    = {2},
  publisher = {AIP Publishing},
  address   = {Melville},
  issn      = {1931-9401},
  doi       = {10.1063/5.0085286},
  pages     = {11},
  year      = {2022},
  abstract  = {Traditional inorganic semiconductors can be electronically doped with high precision. Conversely, there is still conjecture regarding the assessment of the electronic doping density in metal-halide perovskites, not to mention of a control thereof. This paper presents a multifaceted approach to determine the electronic doping density for a range of different lead-halide perovskite systems. Optical and electrical characterization techniques, comprising intensity-dependent and transient photoluminescence, AC Hall effect, transfer-length-methods, and charge extraction measurements were instrumental in quantifying an upper limit for the doping density. The obtained values are subsequently compared to the electrode charge per cell volume under short-circuit conditions ( CUbi/eV), which amounts to roughly 10(16) cm(-3). This figure of merit represents the critical limit below which doping-induced charges do not influence the device performance. The experimental results consistently demonstrate that the doping density is below this critical threshold 10(12) cm(-3), which means << CUbi / e V) for all common lead-based metal-halide perovskites. Nevertheless, although the density of doping-induced charges is too low to redistribute the built-in voltage in the perovskite active layer, mobile ions are present in sufficient quantities to create space-charge-regions in the active layer, reminiscent of doped pn-junctions. These results are well supported by drift-diffusion simulations, which confirm that the device performance is not affected by such low doping densities.},
  language  = {en}
}
@article{MatternvonReppertZeuschneretal.2022,
  author    = {Mattern, Maximilian and von Reppert, Alexander and Zeuschner, Steffen Peer and Pudell, Jan-Etienne and K{\"u}hne, F. and Diesing, Detlef and Herzog, Marc and Bargheer, Matias},
  title     = {Electronic energy transport in nanoscale Au/Fe hetero-structures in the perspective of ultrafast lattice dynamics},
  series = {Applied physics letters},
  volume    = {120},
  journal   = {Applied physics letters},
  number    = {9},
  publisher = {AIP Publishing},
  address   = {Melville},
  issn      = {0003-6951},
  doi       = {10.1063/5.0080378},
  pages     = {5},
  year      = {2022},
  abstract  = {We study the ultrafast electronic transport of energy in a photoexcited nanoscale Au/Fe hetero-structure by modeling the spatiotemporal profile of energy densities that drives transient strain, which we quantify by femtosecond x-ray diffraction. This flow of energy is relevant for intrinsic demagnetization and ultrafast spin transport. We measured lattice strain for different Fe layer thicknesses ranging from few atomic layers to several nanometers and modeled the spatiotemporal flow of energy densities. The combination of a high electron-phonon coupling coefficient and a large Sommerfeld constant in Fe is found to yield electronic transfer of nearly all energy from Au to Fe within the first hundreds of femtoseconds.},
  language  = {en}
}
@article{ZeuschnerWangDebetal.2022,
  author    = {Zeuschner, Steffen Peer and Wang, Xi-Guang and Deb, Marwan and Popova, Elena and Malinowski, Gregory and Hehn, Michel and Keller, Niels and Berakdar, Jamal and Bargheer, Matias},
  title     = {Standing spin wave excitation in Bi},
  series = {Physical review : B, Condensed matter and materials physics},
  volume    = {106},
  journal   = {Physical review : B, Condensed matter and materials physics},
  number    = {13},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2469-9950},
  doi       = {10.1103/PhysRevB.106.134401},
  pages     = {9},
  year      = {2022},
  abstract  = {Based on micromagnetic simulations and experimental observations of the magnetization and lattice dynamics after the direct optical excitation of the magnetic insulator Bi : YIG or indirect excitation via an optically opaque Pt/Cu double layer, we disentangle the dynamical effects of magnetic anisotropy and magneto-elastic coupling. The strain and temperature of the lattice are quantified via modeling ultrafast x-ray diffraction data. Measurements of the time-resolved magneto-optical Kerr effect agree well with the magnetization dynamics simulated according to the excitation via two mechanisms: the magneto-elastic coupling to the experimentally verified strain dynamics and the ultrafast temperature-induced transient change in the magnetic anisotropy. The numerical modeling proves that, for direct excitation, both mechanisms drive the fundamental mode with opposite phase. The relative ratio of standing spin wave amplitudes of higher-order modes indicates that both mechanisms are substantially active.},
  language  = {en}
}
@article{HerzogvonReppertPudelletal.2022,
  author    = {Herzog, Marc and von Reppert, Alexander and Pudell, Jan-Etienne and Henkel, Carsten and Kronseder, Matthias and Back, Christian H. and Maznev, Alexei A. and Bargheer, Matias},
  title     = {Phonon-dominated energy transport in purely metallic heterostructures},
  series = {Advanced functional materials},
  volume    = {32},
  journal   = {Advanced functional materials},
  number    = {41},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {1616-301X},
  doi       = {10.1002/adfm.202206179},
  pages     = {8},
  year      = {2022},
  abstract  = {Ultrafast X-ray diffraction is used to quantify the transport of energy in laser-excited nanoscale gold-nickel (Au-Ni) bilayers. Electron transport and efficient electron-phonon coupling in Ni convert the laser-deposited energy in the conduction electrons within a few picoseconds into a strong non-equilibrium between hot Ni and cold Au phonons at the bilayer interface. Modeling of the subsequent equilibration dynamics within various two-temperature models confirms that for ultrathin Au films, the thermal transport is dominated by phonons instead of conduction electrons because of the weak electron-phonon coupling in Au.},
  language  = {en}
}
@article{ShaydukHallmannRodriguezFernandezetal.2022,
  author    = {Shayduk, Roman and Hallmann, J{\"o}rg and Rodriguez-Fernandez, Angel and Scholz, Markus and Lu, Wei and B{\"o}senberg, Ulrike and M{\"o}ller, Johannes and Zozulya, Alexey and Jiang, Man and Wegner, Ulrike and Secareanu, Radu-Costin and Palmer, Guido and Emons, Moritz and Lederer, Max and Volkov, Sergey and Lindfors-Vrejoiu, Ionela and Schick, Daniel and Herzog, Marc and Bargheer, Matias and Madsen, Anders},
  title     = {Femtosecond x-ray diffraction study of multi-THz coherent phonons in SrTiO3},
  series = {Applied physics letters},
  volume    = {120},
  journal   = {Applied physics letters},
  number    = {20},
  publisher = {AIP Publishing},
  address   = {Melville},
  issn      = {0003-6951},
  doi       = {10.1063/5.0083256},
  pages     = {5},
  year      = {2022},
  abstract  = {We report generation of ultra-broadband longitudinal acoustic coherent phonon wavepackets in SrTiO3 (STO) with frequency components extending throughout the first Brillouin zone. The wavepackets are efficiently generated in STO using femtosecond infrared laser excitation of an atomically flat 1.6 nm-thick epitaxial SrRuO3 film. We use femtosecond x-ray diffraction at the European X-Ray Free Electron Laser Facility to study the dispersion and damping of phonon wavepackets. The experimentally determined damping constants for multi-THz frequency phonons compare favorably to the extrapolation of a simple ultrasound damping model over several orders of magnitude.},
  language  = {en}
}
@article{DebPopovaJaffresetal.2022,
  author    = {Deb, Marwan and Popova, Elena and Jaffr{\`e}s, Henri-Yves and Keller, Niels and Bargheer, Matias},
  title     = {Controlling high-frequency spin-wave dynamics using double-pulse laser excitation},
  series = {Physical review applied},
  volume    = {18},
  journal   = {Physical review applied},
  number    = {4},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2331-7019},
  doi       = {10.1103/PhysRevApplied.18.044001},
  pages     = {7},
  year      = {2022},
  abstract  = {Manipulating spin waves is highly required for the development of innovative data transport and processing technologies. Recently, the possibility of triggering high-frequency standing spin waves in magnetic insulators using femtosecond laser pulses was discovered, raising the question about how one can manipulate their dynamics. Here we explore this question by investigating the ultrafast magnetiza-tion and spin-wave dynamics induced by double-pulse laser excitation. We demonstrate a suppression or enhancement of the amplitudes of the standing spin waves by precisely tuning the time delay between the two pulses. The results can be understood as the constructive or destructive interference of the spin waves induced by the first and second laser pulses. Our findings open exciting perspectives towards generating single-mode standing spin waves that combine high frequency with large amplitude and low magnetic damping.},
  language  = {en}
}
@article{DebPopovaJaffresetal.2022,
  author    = {Deb, Marwan and Popova, Elena and Jaffr{\`e}s, Henri-Yves and Keller, Niels and Bargheer, Matias},
  title     = {Polarization-dependent subpicosecond demagnetization in iron garnets},
  series = {Physical review : B, covering condensed matter and materials physics},
  volume    = {106},
  journal   = {Physical review : B, covering condensed matter and materials physics},
  number    = {18},
  publisher = {American Institute of Physics, American Physical Society},
  address   = {Woodbury, NY},
  issn      = {2469-9950},
  doi       = {10.1103/PhysRevB.106.184416},
  pages     = {7},
  year      = {2022},
  abstract  = {Controlling the magnetization dynamics at the fastest speed is a major issue of fundamental condensed matter physics and its applications for data storage and processing technologies. It requires a deep understanding of the interactions between the degrees of freedom in solids, such as spin, electron, and lattice as well as their responses to external stimuli. In this paper, we systematically investigate the fluence dependence of ultrafast magnetization dynamics induced by below-bandgap ultrashort laser pulses in the ferrimagnetic insulators BixY3-xFe5O12 with 1 xBi 3. We demonstrate subpicosecond demagnetization dynamics in this material followed by a very slow remagnetization process. We prove that this demagnetization results from an ultrafast heating of iron garnets by two-photon absorption (TPA), suggesting a phonon-magnon thermalization time of 0.6 ps. We explain the slow remagnetization timescale by the low phonon heat conductivity in garnets. Additionally, we show that the amplitudes of the demagnetization, optical change, and lattice strain can be manipulated by changing the ellipticity of the pump pulses. We explain this phenomenon considering the TPA circular dichroism. These findings open exciting prospects for ultrafast manipulation of spin, charge, and lattice dynamics in magnetic insulators by ultrafast nonlinear optics.},
  language  = {en}
}
@article{ThapaWyłomańskaSikoraetal.2021,
  author    = {Thapa, Samudrajit and Wyłomańska, Agnieszka and Sikora, Grzegorz and Wagner, Caroline E. and Krapf, Diego and Kantz, Holger and Chechkin, Aleksei V. and Metzler, Ralf},
  title     = {Leveraging large-deviation statistics to decipher the stochastic properties of measured trajectories},
  series = {New Journal of Physics},
  volume    = {23},
  journal   = {New Journal of Physics},
  publisher = {Dt. Physikalische Ges. ; IOP},
  address   = {Bad Honnef ; London},
  issn      = {1367-2630},
  doi       = {10.1088/1367-2630/abd50e},
  pages     = {22},
  year      = {2021},
  abstract  = {Extensive time-series encoding the position of particles such as viruses, vesicles, or individualproteins are routinely garnered insingle-particle tracking experiments or supercomputing studies.They contain vital clues on how viruses spread or drugs may be delivered in biological cells.Similar time-series are being recorded of stock values in financial markets and of climate data.Such time-series are most typically evaluated in terms of time-averaged mean-squareddisplacements (TAMSDs), which remain random variables for finite measurement times. Theirstatistical properties are different for differentphysical stochastic processes, thus allowing us toextract valuable information on the stochastic process itself. To exploit the full potential of thestatistical information encoded in measured time-series we here propose an easy-to-implementand computationally inexpensive new methodology, based on deviations of the TAMSD from itsensemble average counterpart. Specifically, we use the upper bound of these deviations forBrownian motion (BM) to check the applicability of this approach to simulated and real data sets.By comparing the probability of deviations fordifferent data sets, we demonstrate how thetheoretical bound for BM reveals additional information about observed stochastic processes. Weapply the large-deviation method to data sets of tracer beads tracked in aqueous solution, tracerbeads measured in mucin hydrogels, and of geographic surface temperature anomalies. Ouranalysis shows how the large-deviation properties can be efficiently used as a simple yet effectiveroutine test to reject the BM hypothesis and unveil relevant information on statistical propertiessuch as ergodicity breaking and short-time correlations.},
  language  = {en}
}
@article{Teichmann2021,
  author    = {Teichmann, Erik},
  title     = {Using phase dynamics to study partial synchrony},
  series = {European physical journal special topics},
  volume    = {230},
  journal   = {European physical journal special topics},
  number    = {14-15},
  publisher = {Springer},
  address   = {Heidelberg},
  issn      = {1951-6355},
  doi       = {10.1140/epjs/s11734-021-00156-3},
  pages     = {2833 -- 2842},
  year      = {2021},
  abstract  = {Partial synchronous states appear between full synchrony and asynchrony and exhibit many interesting properties. Most frequently, these states are studied within the framework of phase approximation. The latter is used ubiquitously to analyze coupled oscillatory systems. Typically, the phase dynamics description is obtained in the weak coupling limit, i.e., in the first-order in the coupling strength. The extension beyond the first-order represents an unsolved problem and is an active area of research. In this paper, three partially synchronous states are investigated and presented in order of increasing complexity. First, the usage of the phase response curve for the description of macroscopic oscillators is analyzed. To achieve this, the response of the mean-field oscillations in a model of all-to-all coupled limit-cycle oscillators to pulse stimulation is measured. The next part treats a two-group Kuramoto model, where the interaction of one attractive and one repulsive group results in an interesting solitary state, situated between full synchrony and self-consistent partial synchrony. In the last part, the phase dynamics of a relatively simple system of three Stuart-Landau oscillators are extended beyond the weak coupling limit. The resulting model contains triplet terms in the high-order phase approximation, though the structural connections are only pairwise. Finally, the scaling of the new terms with the coupling is analyzed.},
  language  = {en}
}
@article{RubioAndersCorrea2021,
  author    = {Rubio, Jes{\´u}s and Anders, Janet and Correa, Luis A.},
  title     = {Global quantum thermometry},
  series = {Physical review letters / publ. by the American Physical Society},
  volume    = {127},
  journal   = {Physical review letters / publ. by the American Physical Society},
  number    = {19},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {0031-9007},
  doi       = {10.1103/PhysRevLett.127.190402},
  pages     = {6},
  year      = {2021},
  abstract  = {A paradigm shift in quantum thermometry is proposed. To date, thermometry has relied on local estimation, which is useful to reduce statistical fluctuations once the temperature is very well known. In order to estimate temperatures in cases where few measurement data or no substantial prior knowledge are available, we build instead a method for global quantum thermometry. Based on scaling arguments, a mean logarithmic error is shown here to be the correct figure of merit for thermometry. Its full minimization provides an operational and optimal rule to postprocess measurements into a temperature reading, and it establishes a global precision limit. We apply these results to the simulated outcomes of measurements on a spin gas, finding that the local approach can lead to biased temperature estimates in cases where the global estimator converges to the true temperature. The global framework thus enables a reliable approach to data analysis in thermometry experiments.},
  language  = {en}
}
@article{Keles2021,
  author    = {Keles, Engin},
  title     = {Spectral signature of atmospheric winds in high-resolution transit observations},
  series = {Monthly Notices of the Royal Astronomical Society},
  volume    = {502},
  journal   = {Monthly Notices of the Royal Astronomical Society},
  number    = {1},
  publisher = {Oxford Univ. Press},
  address   = {Oxford},
  doi       = {10.1093/mnras/stab099},
  pages     = {1456 -- 1468},
  year      = {2021},
  abstract  = {The study of exoplanet atmospheres showed large diversity compared to the planets in our Solar system. Especially Jupiter-type exoplanets orbiting their host star in close orbits, the so-called hot and ultra-hot Jupiters, have been studied in detail due to their enhanced atmospheric signature. Due to their tidally locked status, the temperature difference between the day- and nightside triggers atmospheric winds that can lead to various fingerprints in the observations. Spatially resolved absorption lines during transit such as sodium (Na) could be a good tracer for such winds. Different works resolved the Na absorption lines on different exoplanets which show different line widths. Assuming that this could be attributed to such zonal jet streams, this work models the effect of such winds on synthetic absorption lines. For this, transiting Jupiter-type planets with rotational velocities similar to hot and ultra-hot Jupiter are considered. The investigation shows that high wind velocities could reproduce the broadening of Na-line profiles inferred in different high-resolution transit observations. There is a tendency that the broadening values decrease for planets with lower equilibrium temperature. This could be explained by atmospheric drag induced by the ionization of alkali lines that slow down the zonal jet streams, favouring their existence on hot Jupiter rather than ultra-hot Jupiter.},
  language  = {en}
}
@article{KleinRosenberger2021,
  author    = {Klein, Markus and Rosenberger, Elke},
  title     = {The tunneling effect for Schr{\"o}dinger operators on a vector bundle},
  series = {Analysis and mathematical physics},
  volume    = {11},
  journal   = {Analysis and mathematical physics},
  number    = {2},
  publisher = {Springer International Publishing AG},
  address   = {Cham (ZG)},
  issn      = {1664-2368},
  doi       = {10.1007/s13324-021-00485-5},
  pages     = {35},
  year      = {2021},
  abstract  = {In the semiclassical limit (h) over bar -> 0, we analyze a class of self-adjoint Schrodinger operators H-(h) over bar = (h) over bar L-2 + (h) over barW + V center dot id(E) acting on sections of a vector bundle E over an oriented Riemannian manifold M where L is a Laplace type operator, W is an endomorphism field and the potential energy V has non-degenerate minima at a finite number of points m(1),... m(r) is an element of M, called potential wells. Using quasimodes of WKB-type near m(j) for eigenfunctions associated with the low lying eigenvalues of H-(h) over bar, we analyze the tunneling effect, i.e. the splitting between low lying eigenvalues, which e.g. arises in certain symmetric configurations. Technically, we treat the coupling between different potential wells by an interaction matrix and we consider the case of a single minimal geodesic (with respect to the associated Agmon metric) connecting two potential wells and the case of a submanifold of minimal geodesics of dimension l + 1. This dimension l determines the polynomial prefactor for exponentially small eigenvalue splitting.},
  language  = {en}
}
@article{BaerMazzeo2021,
  author    = {B{\"a}r, Christian and Mazzeo, Rafe},
  title     = {Manifolds with many Rarita-Schwinger fields},
  series = {Communications in mathematical physics},
  volume    = {384},
  journal   = {Communications in mathematical physics},
  number    = {1},
  publisher = {Springer},
  address   = {Berlin},
  issn      = {0010-3616},
  doi       = {10.1007/s00220-021-04030-0},
  pages     = {533 -- 548},
  year      = {2021},
  abstract  = {The Rarita-Schwinger operator is the twisted Dirac operator restricted to 3/2-spinors. Rarita-Schwinger fields are solutions of this operator which are in addition divergence-free. This is an overdetermined problem and solutions are rare; it is even more unexpected for there to be large dimensional spaces of solutions. In this paper we prove the existence of a sequence of compact manifolds in any given dimension greater than or equal to 4 for which the dimension of the space of Rarita-Schwinger fields tends to infinity. These manifolds are either simply connected Kahler-Einstein spin with negative Einstein constant, or products of such spaces with flat tori. Moreover, we construct Calabi-Yau manifolds of even complex dimension with more linearly independent Rarita-Schwinger fields than flat tori of the same dimension.},
  language  = {en}
}
@article{KlugeSchewe2021,
  author    = {Kluge, Lucas and Schewe, Jacob},
  title     = {Evaluation and extension of the radiation model for internal migration},
  series = {Physical review : E, Statistical, nonlinear and soft matter physics},
  volume    = {104},
  journal   = {Physical review : E, Statistical, nonlinear and soft matter physics},
  number    = {5},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0045},
  doi       = {10.1103/PhysRevE.104.054311},
  pages     = {9},
  year      = {2021},
  abstract  = {Human migration is often studied using gravity models. These models, however, have known limitations, including analytic inconsistencies and a dependence on empirical data to calibrate multiple parameters for the region of interest. Overcoming these limitations, the radiation model has been proposed as an alternative, universal approach to predicting different forms of human mobility, but has not been adopted for studying migration. Here we show, using data on within-country migration from the USA and Mexico, that the radiation model systematically underpredicts long-range moves, while the traditional gravity model performs well for large distances. The universal opportunity model, an extension of the radiation model, shows an improved fit of long-range moves compared to the original radiation model, but at the cost of introducing two additional parameters. We propose a more parsimonious extension of the radiation model that introduces a single parameter. We demonstrate that it fits the data over the full distance spectrum and also-unlike the universal opportunity model-preserves the analytical property of the original radiation model of being equivalent to a gravity model in the limit of a uniform population distribution.},
  language  = {en}
}
@article{GottwaldReich2021,
  author    = {Gottwald, Georg A. and Reich, Sebastian},
  title     = {Combining machine learning and data assimilation to forecast dynamical systems from noisy partial observations},
  series = {Chaos : an interdisciplinary journal of nonlinear science},
  volume    = {31},
  journal   = {Chaos : an interdisciplinary journal of nonlinear science},
  number    = {10},
  publisher = {AIP},
  address   = {Melville},
  issn      = {1054-1500},
  doi       = {10.1063/5.0066080},
  pages     = {8},
  year      = {2021},
  abstract  = {We present a supervised learning method to learn the propagator map of a dynamical system from partial and noisy observations. In our computationally cheap and easy-to-implement framework, a neural network consisting of random feature maps is trained sequentially by incoming observations within a data assimilation procedure. By employing Takens's embedding theorem, the network is trained on delay coordinates. We show that the combination of random feature maps and data assimilation, called RAFDA, outperforms standard random feature maps for which the dynamics is learned using batch data.},
  language  = {en}
}
@article{GaebelBeinMathaueretal.2021,
  author    = {Gaebel, Tina and Bein, Daniel and Mathauer, Daniel and Utecht, Manuel and Palmer, Richard E. and Klamroth, Tillmann},
  title     = {Nonlocal STM manipulation of chlorobenzene on Si(111)-7 x 7},
  series = {The journal of physical chemistry : C, Nanomaterials and interfaces},
  volume    = {125},
  journal   = {The journal of physical chemistry : C, Nanomaterials and interfaces},
  number    = {22},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {1932-7447},
  doi       = {10.1021/acs.jpcc.1c02612},
  pages     = {12175 -- 12184},
  year      = {2021},
  abstract  = {We use quantum chemical cluster models together with constrained density STM Ph CI functional theory (DFT) and ab initio molecular dynamics (AIMD) for open system to simulate tip and rationalize nonlocal scanning tunneling microscope (STM) manipulation experiments for Philh ci chlorobenzene (PhCl) on a Si(111)-7 X 7 surface. We consider three different processes, namely, the electron-induced dissociation of the carbon-chlorine bond for physisorbed PhCl molecules at low temperatures and the electron- or hole-induced desorption of chemisorbed PhCl at 300 K. All processes can be induced nonlocally, i.e., up to several nanometers (nm) away from the injection site, in STM experiments. We rationalize and explain the experimental findings regarding the STM-induced dissociation using constrained DFT. The coupling of STM-induced ion resonances to nuclear degrees of freedom is simulated with AIMD using the Gadzuk averaging approach for open systems. From this data, we predict a 4 fs lifetime for the cationic resonance. For the anion model, desorption could not be observed. In addition, the same cluster models are used for transition-state theory calculations, which are compared to and validated against time-lapse STM experiments.},
  language  = {en}
}
@article{WiesnerLadyman2021,
  author    = {Wiesner, Karoline and Ladyman, James},
  title     = {Complex systems are always correlated but rarely information processing},
  series = {Journal of physics. Complexity},
  volume    = {2},
  journal   = {Journal of physics. Complexity},
  number    = {4},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {2632-072X},
  doi       = {10.1088/2632-072X/ac371c},
  pages     = {4},
  year      = {2021},
  abstract  = {'Complex systems are information processors' is a statement that is frequently made. Here we argue for the distinction between information processing-in the sense of encoding and transmitting a symbolic representation-and the formation of correlations (pattern formation/self-organisation). The study of both uses tools from information theory, but the purpose is very different in each case: explaining the mechanisms and understanding the purpose or function in the first case, versus data analysis and correlation extraction in the latter. We give examples of both and discuss some open questions. The distinction helps focus research efforts on the relevant questions in each case.},
  language  = {en}
}
@article{Clavier2021,
  author    = {Clavier, Pierre J.},
  title     = {Borel-{\´E}calle resummation of a two-point function},
  series = {Annales Henri Poincar{\´e} : a journal of theoretical and mathematical physics / ed. jointly by the Institut Henri Poincar{\´e} and by the Swiss Physical Society},
  volume    = {22},
  journal   = {Annales Henri Poincar{\´e} : a journal of theoretical and mathematical physics / ed. jointly by the Institut Henri Poincar{\´e} and by the Swiss Physical Society},
  number    = {6},
  publisher = {Springer},
  address   = {Cham},
  issn      = {1424-0637},
  doi       = {10.1007/s00023-021-01057-w},
  pages     = {2103 -- 2136},
  year      = {2021},
  abstract  = {We provide an overview of the tools and techniques of resurgence theory used in the Borel-ecalle resummation method, which we then apply to the massless Wess-Zumino model. Starting from already known results on the anomalous dimension of the Wess-Zumino model, we solve its renormalisation group equation for the two-point function in a space of formal series. We show that this solution is 1-Gevrey and that its Borel transform is resurgent. The Schwinger-Dyson equation of the model is then used to prove an asymptotic exponential bound for the Borel transformed two-point function on a star-shaped domain of a suitable ramified complex plane. This proves that the two-point function of the Wess-Zumino model is Borel-ecalle summable.},
  language  = {en}
}
@article{DierckeKuckeinVermaetal.2021,
  author    = {Diercke, Andrea and Kuckein, Christoph and Verma, Meetu and Denker, Carsten},
  title     = {Filigree in the surroundings of polar crown and high-latitude filaments},
  series = {Solar physics : a journal for solar and solar-stellar research and the study of solar terrestrial physics},
  volume    = {296},
  journal   = {Solar physics : a journal for solar and solar-stellar research and the study of solar terrestrial physics},
  number    = {2},
  publisher = {Springer},
  address   = {Dordrecht},
  issn      = {0038-0938},
  doi       = {10.1007/s11207-021-01776-7},
  pages     = {25},
  year      = {2021},
  abstract  = {High-resolution observations of polar crown and high-latitude filaments are scarce. We present a unique sample of such filaments observed in high-resolution H alpha narrow-band filtergrams and broad-band images, which were obtained with a new fast camera system at the Vacuum Tower Telescope (VTT), Tenerife, Spain. The Chromospheric Telescope (ChroTel) provided full-disk context observations in H alpha, CaiiK, and Hei 10830 angstrom. The Helioseismic and Magnetic Imager (HMI) and the Atmospheric Imaging Assembly (AIA) on board the Solar Dynamics Observatory (SDO) provided line-of-sight magnetograms and ultraviolet (UV) 1700 angstrom filtergrams, respectively. We study filigree in the vicinity of polar crown and high-latitude filaments and relate their locations to magnetic concentrations at the filaments' footpoints. Bright points are a well studied phenomenon in the photosphere at low latitudes, but they were not yet studied in the quiet network close to the poles. We examine size, area, and eccentricity of bright points and find that their morphology is very similar to their counterparts at lower latitudes, but their sizes and areas are larger. Bright points at the footpoints of polar crown filaments are preferentially located at stronger magnetic flux concentrations, which are related to bright regions at the border of supergranules as observed in UV filtergrams. Examining the evolution of bright points on three consecutive days reveals that their amount increases while the filament decays, which indicates they impact the equilibrium of the cool plasma contained in filaments.},
  language  = {en}
}
@article{KelesMallomvonEssenetal.2021,
  author    = {Keles, Engin and Mallom, Matthias and von Essen, Carolina and Caroll, Thorsten A. and Alexoudi, Xanthippi and Pino, Lorenzo and Ilyin, Ilya and Poppenh{\"a}ger, Katja and Kitzmann, Daniel and Nascimbeni, Valerino and Turner, Jake D. and Strassmeier, Klaus G.},
  title     = {The potassium absorption on HD189733b and HD209458b},
  series = {Monthly Notices of the Royal Astronomical Society: Letters},
  volume    = {489},
  journal   = {Monthly Notices of the Royal Astronomical Society: Letters},
  number    = {1},
  publisher = {Oxford Univ. Press},
  address   = {Oxford},
  doi       = {10.1093/mnrasl/slz123},
  pages     = {L37 -- L41},
  year      = {2021},
  abstract  = {In this work, we investigate the potassium excess absorption around 7699 {\AA} of the exoplanets HD189733b and HD209458b. For this purpose, we used high-spectral resolution transit observations acquired with the 2 × 8.4 m Large Binocular Telescope (LBT) and the Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI). For a bandwidth of 0.8 {\AA}, we present a detection >7σ with an absorption level of 0.18 per cent for HD189733b. Applying the same analysis to HD209458b, we can set 3σ upper limit of 0.09 per cent, even though we do not detect a K-excess absorption. The investigation suggests that the K feature is less present in the atmosphere of HD209458b than in the one of HD189733b. This comparison confirms previous claims that the atmospheres of these two planets must have fundamentally different properties.},
  language  = {en}
}
@article{CaruccioDeufemiaNaumannetal.2021,
  author    = {Caruccio, Loredana and Deufemia, Vincenzo and Naumann, Felix and Polese, Giuseppe},
  title     = {Discovering relaxed functional dependencies based on multi-attribute dominance},
  series = {IEEE transactions on knowledge and data engineering},
  volume    = {33},
  journal   = {IEEE transactions on knowledge and data engineering},
  number    = {9},
  publisher = {Institute of Electrical and Electronics Engineers},
  address   = {New York, NY},
  issn      = {1041-4347},
  doi       = {10.1109/TKDE.2020.2967722},
  pages     = {3212 -- 3228},
  year      = {2021},
  abstract  = {With the advent of big data and data lakes, data are often integrated from multiple sources. Such integrated data are often of poor quality, due to inconsistencies, errors, and so forth. One way to check the quality of data is to infer functional dependencies (fds). However, in many modern applications it might be necessary to extract properties and relationships that are not captured through fds, due to the necessity to admit exceptions, or to consider similarity rather than equality of data values. Relaxed fds (rfds) have been introduced to meet these needs, but their discovery from data adds further complexity to an already complex problem, also due to the necessity of specifying similarity and validity thresholds. We propose Domino, a new discovery algorithm for rfds that exploits the concept of dominance in order to derive similarity thresholds of attribute values while inferring rfds. An experimental evaluation on real datasets demonstrates the discovery performance and the effectiveness of the proposed algorithm.},
  language  = {en}
}
@article{GottwaldReich2021,
  author    = {Gottwald, Georg A. and Reich, Sebastian},
  title     = {Supervised learning from noisy observations},
  series = {Physica : D, Nonlinear phenomena},
  volume    = {423},
  journal   = {Physica : D, Nonlinear phenomena},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0167-2789},
  doi       = {10.1016/j.physd.2021.132911},
  pages     = {15},
  year      = {2021},
  abstract  = {Data-driven prediction and physics-agnostic machine-learning methods have attracted increased interest in recent years achieving forecast horizons going well beyond those to be expected for chaotic dynamical systems. In a separate strand of research data-assimilation has been successfully used to optimally combine forecast models and their inherent uncertainty with incoming noisy observations. The key idea in our work here is to achieve increased forecast capabilities by judiciously combining machine-learning algorithms and data assimilation. We combine the physics-agnostic data -driven approach of random feature maps as a forecast model within an ensemble Kalman filter data assimilation procedure. The machine-learning model is learned sequentially by incorporating incoming noisy observations. We show that the obtained forecast model has remarkably good forecast skill while being computationally cheap once trained. Going beyond the task of forecasting, we show that our method can be used to generate reliable ensembles for probabilistic forecasting as well as to learn effective model closure in multi-scale systems. (C) 2021 Elsevier B.V. All rights reserved.},
  language  = {en}
}
@article{GuggenbergerChechkinMetzler2021,
  author    = {Guggenberger, Tobias and Chechkin, Aleksei V. and Metzler, Ralf},
  title     = {Fractional Brownian motion in superharmonic potentials and non-Boltzmann stationary distributions},
  series = {Journal of physics : A, Mathematical and theoretical},
  volume    = {54},
  journal   = {Journal of physics : A, Mathematical and theoretical},
  number    = {29},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {1751-8113},
  doi       = {10.1088/1751-8121/ac019b},
  pages     = {17},
  year      = {2021},
  abstract  = {We study the stochastic motion of particles driven by long-range correlated fractional Gaussian noise (FGN) in a superharmonic external potential of the form U(x) proportional to x(2n) (n is an element of N). When the noise is considered to be external, the resulting overdamped motion is described by the non-Markovian Langevin equation for fractional Brownian motion. For this case we show the existence of long time, stationary probability density functions (PDFs) the shape of which strongly deviates from the naively expected Boltzmann PDF in the confining potential U(x). We analyse in detail the temporal approach to stationarity as well as the shape of the non-Boltzmann stationary PDF. A typical characteristic is that subdiffusive, antipersistent (with negative autocorrelation) motion tends to effect an accumulation of probability close to the origin as compared to the corresponding Boltzmann distribution while the opposite trend occurs for superdiffusive (persistent) motion. For this latter case this leads to distinct bimodal shapes of the PDF. This property is compared to a similar phenomenon observed for Markovian Levy flights in superharmonic potentials. We also demonstrate that the motion encoded in the fractional Langevin equation driven by FGN always relaxes to the Boltzmann distribution, as in this case the fluctuation-dissipation theorem is fulfilled.},
  language  = {en}
}
@article{BeckusEliaz2021,
  author    = {Beckus, Siegfried and Eliaz, Latif},
  title     = {Eigenfunctions growth of R-limits on graphs},
  series = {Journal of spectral theory / European Mathematical Society},
  volume    = {11},
  journal   = {Journal of spectral theory / European Mathematical Society},
  number    = {4},
  publisher = {EMS Press, an imprint of the European Mathematical Society - EMS - Publishing House GmbH, Institut f{\"u}r Mathematik, Technische Universit{\"a}t},
  address   = {Berlin},
  issn      = {1664-039X},
  doi       = {10.4171/JST/389},
  pages     = {1895 -- 1933},
  year      = {2021},
  abstract  = {A characterization of the essential spectrum of Schrodinger operators on infinite graphs is derived involving the concept of R-limits. This concept, which was introduced previously for operators on N and Z(d) as "right-limits," captures the behaviour of the operator at infinity. For graphs with sub-exponential growth rate, we show that each point in sigma(ss)(H) corresponds to a bounded generalized eigenfunction of a corresponding R-limit of H. If, additionally, the graph is of uniform sub-exponential growth, also the converse inclusion holds.},
  language  = {en}
}
@article{KumarRosenblum2021,
  author    = {Kumar, Mohit and Rosenblum, Michael},
  title     = {Two mechanisms of remote synchronization in a chain of Stuart-Landau oscillators},
  series = {Physical review : E, Statistical, nonlinear and soft matter physics},
  volume    = {104},
  journal   = {Physical review : E, Statistical, nonlinear and soft matter physics},
  number    = {5},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0045},
  doi       = {10.1103/PhysRevE.104.054202},
  pages     = {6},
  year      = {2021},
  abstract  = {Remote synchronization implies that oscillators interacting not directly but via an additional unit (hub) adjust their frequencies and exhibit frequency locking while the hub remains asynchronous. In this paper, we analyze the mechanisms of remote synchrony in a small network of three coupled Stuart-Landau oscillators using recent results on higher-order phase reduction. We analytically demonstrate the role of two factors promoting remote synchrony. These factors are the nonisochronicity of oscillators and the coupling terms appearing in the secondorder phase approximation. We show a good correspondence between our theory and numerical results for small and moderate coupling strengths.},
  language  = {en}
}
@article{HannemannWegnerHenkel2021,
  author    = {Hannemann, Mandy and Wegner, Gino and Henkel, Carsten},
  title     = {No-slip boundary conditions for electron hydrodynamics and the thermal Casimir pressure},
  series = {Universe : open access journal},
  volume    = {7},
  journal   = {Universe : open access journal},
  number    = {4},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {2218-1997},
  doi       = {10.3390/universe7040108},
  pages     = {20},
  year      = {2021},
  abstract  = {We derive modified reflection coefficients for electromagnetic waves in the THz and far infrared range. The idea is based on hydrodynamic boundary conditions for metallic conduction electrons. The temperature-dependent part of the Casimir pressure between metal plates is evaluated. The results should shed light on the "thermal anomaly," where measurements deviate from the standard fluctuation electrodynamics for conducting metals.},
  language  = {en}
}
@article{MutothyaXuLietal.2021,
  author    = {Mutothya, Nicholas Mwilu and Xu, Yong and Li, Yongge and Metzler, Ralf},
  title     = {Characterising stochastic motion in heterogeneous media driven by coloured non-Gaussian noise},
  series = {Journal of physics : A, Mathematical and theoretical},
  volume    = {54},
  journal   = {Journal of physics : A, Mathematical and theoretical},
  number    = {29},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {1751-8113},
  doi       = {10.1088/1751-8121/abfba6},
  pages     = {31},
  year      = {2021},
  abstract  = {We study the stochastic motion of a test particle in a heterogeneous medium in terms of a position dependent diffusion coefficient mimicking measured deterministic diffusivity gradients in biological cells or the inherent heterogeneity of geophysical systems. Compared to previous studies we here investigate the effect of the interplay of anomalous diffusion effected by position dependent diffusion coefficients and coloured non-Gaussian noise. The latter is chosen to be distributed according to Tsallis' q-distribution, representing a popular example for a non-extensive statistic. We obtain the ensemble and time averaged mean squared displacements for this generalised process and establish its non-ergodic properties as well as analyse the non-Gaussian nature of the associated displacement distribution. We consider both non-stratified and stratified environments.},
  language  = {en}
}
@article{Henkel2021,
  author    = {Henkel, Carsten},
  title     = {Heat transfer and entanglement},
  series = {Annalen der Physik},
  volume    = {533},
  journal   = {Annalen der Physik},
  number    = {10},
  publisher = {Wiley-VCH},
  address   = {Weinheim},
  issn      = {0003-3804},
  doi       = {10.1002/andp.202100089},
  pages     = {15},
  year      = {2021},
  abstract  = {The non-equilibrium state of two oscillators with a mutual interaction and coupled to separate heat baths is discussed. Bosonic baths are considered, and an exact spectral representation for the elements of the covariance matrix is provided analytically. A wide class of spectral densities for the relevant bath modes is allowed for. The validity of the fluctuation-dissipation relation is established for global equilibrium (both baths at the same temperature) in the stationary state. Spectral measures of entanglement are suggested by comparing to the equilibrium spectrum of zero-point fluctuations. No rotating-wave approximation is applied, and anomalous heat transport from cold to hot bath, as reported in earlier work, is demonstrated not to occur.},
  language  = {en}
}
@article{HorovitzHenkel2021,
  author    = {Horovitz, Baruch and Henkel, Carsten},
  title     = {Spin entanglement via scanning tunneling microscope current},
  series = {Physical review : B, Condensed matter and materials physics},
  volume    = {104},
  journal   = {Physical review : B, Condensed matter and materials physics},
  number    = {8},
  publisher = {American Physical Society},
  address   = {Ridge, NY},
  issn      = {2469-9950},
  doi       = {10.1103/PhysRevB.104.L081405},
  pages     = {5},
  year      = {2021},
  abstract  = {We consider a system of two spins under a scanning tunneling microscope bias and derive its master equation. We find that the tunneling elements to the electronic contacts (tip and substrate) generate an exchange interaction between the spins as well as a Dzyaloshinskii-Moriya interaction in the presence of spin-orbit coupling. The tunnel current spectrum then shows additional lines compared to conventional spin-resonance experiments. When the spins have degenerate Larmor frequencies and equal tunneling amplitudes (without spin orbit), there is a dark state with a vanishing decay rate. The coupling to the electronic environment generates significant spin-spin entanglement via the dark state, even if the initial state is nonentangled.},
  language  = {en}
}
@article{LeverMayerMetjeetal.2021,
  author    = {Lever, Fabiano and Mayer, Dennis and Metje, Jan and Alisauskas, Skirmantas and Calegari, Francesca and D{\"u}sterer, Stefan and Feifel, Raimund and Niebuhr, Mario and Manschwetus, Bastian and Kuhlmann, Marion and Mazza, Tommaso and Robinson, Matthew Scott and Squibb, Richard J. and Trabattoni, Andrea and Wallner, M{\aa}ns and Wolf, Thomas J. A. and G{\"u}hr, Markus},
  title     = {Core-level spectroscopy of 2-thiouracil at the sulfur L1 and L2,3 edges utilizing a SASE free-electron-laser},
  series = {Molecules},
  volume    = {26},
  journal   = {Molecules},
  number    = {21},
  publisher = {MDPI},
  address   = {Basel},
  issn      = {1420-3049},
  pages     = {11},
  year      = {2021},
  abstract  = {In this paper, we report X-ray absorption and core-level electron spectra of the nucleobase derivative 2-thiouracil at the sulfur L1- and L2,3-edges. We used soft X-rays from the free-electron laser FLASH2 for the excitation of isolated molecules and dispersed the outgoing electrons with a magnetic bottle spectrometer. We identified photoelectrons from the 2p core orbital, accompanied by an electron correlation satellite, as well as resonant and non-resonant Coster-Kronig and Auger-Meitner emission at the L1- and L2,3-edges, respectively. We used the electron yield to construct X-ray absorption spectra at the two edges. The experimental data obtained are put in the context of the literature currently available on sulfur core-level and 2-thiouracil spectroscopy.},
  language  = {en}
}
@article{FeudelFeudel2021,
  author    = {Feudel, Fred and Feudel, Ulrike},
  title     = {Bifurcations in rotating spherical shell convection under the influence of differential rotation},
  series = {Chaos : an interdisciplinary journal of nonlinear science},
  volume    = {31},
  journal   = {Chaos : an interdisciplinary journal of nonlinear science},
  number    = {11},
  publisher = {AIP},
  address   = {Melville},
  issn      = {1054-1500},
  doi       = {10.1063/5.0063113},
  pages     = {9},
  year      = {2021},
  abstract  = {The bifurcations of thermal convection in a rotating spherical shell heated from the inner sphere and driven by the buoyancy of a central gravity field are studied numerically. This model of spherical Rayleigh-Benard convection describes large-scale convection in planets and in the outer zones of celestial bodies. In this work, the influence of an additionally imposed differential rotation of the inner sphere with respect to the outer one on the heat transfer and, more generally, on the whole bifurcation structure is investigated. In addition to numerical simulations, path-following techniques are applied in order to compute both stable and unstable solution branches. The dynamics and the heat transfer are essentially determined by a global bifurcation, which we have identified as a homoclinic bifurcation that consists of a collision of a stable modulated rotating with an unstable rotating wave.},
  language  = {en}
}
@article{KoehlerHandorfJaiseretal.2021,
  author    = {K{\"o}hler, Raphael H. and Handorf, D{\"o}rthe and Jaiser, Ralf and Dethloff, Klaus and Z{\"a}ngl, G{\"u}nther and Majewski, Detlev and Rex, Markus},
  title     = {Improved circulation in the Northern hemisphere by adjusting gravity wave drag parameterizations in seasonal experiments with ICON-NWP},
  series = {Earth and Space Science : ESS},
  volume    = {8},
  journal   = {Earth and Space Science : ESS},
  number    = {3},
  publisher = {American Geophysical Union},
  address   = {Malden, Mass.},
  issn      = {2333-5084},
  doi       = {10.1029/2021EA001676},
  pages     = {15},
  year      = {2021},
  abstract  = {The stratosphere is one of the main potential sources for subseasonal to seasonal predictability in midlatitudes in winter. The ability of an atmospheric model to realistically simulate the stratospheric dynamics is essential in order to move forward in the field of seasonal predictions in midlatitudes. Earlier studies with the ICOsahedral Nonhydrostatic atmospheric model (ICON) point out that stratospheric westerlies in ICON are underestimated. This is the first extensive study on the evaluation of Northern Hemisphere stratospheric winter circulation with ICON in numerical weather prediction (NWP) mode. Seasonal experiments with the default setup are able to reproduce the basic climatology of the stratospheric polar vortex. However, westerlies are too weak and major stratospheric warmings too frequent in ICON. Both a reduction of the nonorographic, and a reduction of the orographic gravity wave and wake drag lead to a strengthening of the stratospheric vortex and a bias reduction, in particular in January. However, the effect of the nonorographic gravity wave drag scheme on the stratosphere is stronger. Stratosphere-troposphere coupling is intensified and more realistic due to a reduced gravity wave drag. Furthermore, an adjustment of the subgrid-scale orographic drag parameterization leads to a significant error reduction in the mean sea level pressure. As a result of these findings, we present our current suggested improved setup for seasonal experiments with ICON-NWP. <br /> Plain Language Summary Although seasonal forecasts for midlatitudes have the potential to be highly beneficial to the public sector, they are still characterized by a large amount of uncertainty. Exact simulations of the circulation in the stratosphere can help to improve tropospheric predictability on seasonal time scales. For this reason, we investigate how well the new German atmospheric model is able to simulate the stratospheric circulation. The model reproduces the basic behavior of the Northern Hemisphere stratospheric polar vortex, but the westerly circulation in winter is underestimated. The stratospheric circulation is influenced by gravity waves that exert drag on the flow. These processes are only partly physically represented in the model, but are very important and are hence parameterized. By adjusting the parameterizations for the gravity wave drag, the stratospheric polar vortex is strengthened, thereby yielding a more realistic stratospheric circulation. In addition, the altered parameterizations improve the simulated surface pressure pattern. Based upon this, we present our current suggested improved model setup for seasonal experiments.},
  language  = {en}
}
@article{Pikovskij2021,
  author    = {Pikovskij, Arkadij},
  title     = {Transition to synchrony in chiral active particles},
  series = {Journal of physics. Complexity},
  volume    = {2},
  journal   = {Journal of physics. Complexity},
  number    = {2},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {2632-072X},
  doi       = {10.1088/2632-072X/abdadb},
  pages     = {8},
  year      = {2021},
  abstract  = {I study deterministic dynamics of chiral active particles in two dimensions. Particles are considered as discs interacting with elastic repulsive forces. An ensemble of particles, started from random initial conditions, demonstrates chaotic collisions resulting in their normal diffusion. This chaos is transient, as rather abruptly a synchronous collisionless state establishes. The life time of chaos grows exponentially with the number of particles. External forcing (periodic or chaotic) is shown to facilitate the synchronization transition.},
  language  = {en}
}
@article{ZhengToenjesPikovskij2021,
  author    = {Zheng, Chunming and Toenjes, Ralf and Pikovskij, Arkadij},
  title     = {Transition to synchrony in a three-dimensional swarming model with helical trajectories},
  series = {Physical review : E, Statistical, nonlinear and soft matter physics},
  volume    = {104},
  journal   = {Physical review : E, Statistical, nonlinear and soft matter physics},
  number    = {1},
  publisher = {American Physical Society},
  address   = {College Park},
  issn      = {2470-0045},
  doi       = {10.1103/PhysRevE.104.014216},
  pages     = {7},
  year      = {2021},
  abstract  = {We investigate the transition from incoherence to global collective motion in a three-dimensional swarming model of agents with helical trajectories, subject to noise and global coupling. Without noise this model was recently proposed as a generalization of the Kuramoto model and it was found that alignment of the velocities occurs discontinuously for arbitrarily small attractive coupling. Adding noise to the system resolves this singular limit and leads to a continuous transition, either to a directed collective motion or to center-of-mass rotations.},
  language  = {en}
}
@article{FriessLendleinWischke2021,
  author    = {Frieß, Fabian and Lendlein, Andreas and Wischke, Christian},
  title     = {Switching microobjects from low to high aspect ratios using a shape-memory effect},
  series = {Soft matter},
  volume    = {17},
  journal   = {Soft matter},
  number    = {41},
  publisher = {Royal Society of Chemistry},
  address   = {London},
  issn      = {1744-6848},
  doi       = {10.1039/d1sm00947h},
  pages     = {9326 -- 9331},
  year      = {2021},
  abstract  = {Spherical particles from shape-memory polymers (SMP) can be stretched to ellipsoids with high aspect ratio (AR) and temporarily stabilized. They can switch back to low AR upon thermal stimulation. Here, the creation of an alternative shape-switching capability of particles from low to high AR is introduced, where a SMP matrix from polyvinyl alcohol (PVA) is used to create crosslinked high AR particles and to program the embedded micrometer-sized particles from a second SMP (oligo(epsilon-caprolactone) micronetworks, MN) with a low switching temperature T-sw. This programming proceeds through shape-recovery of the PVA matrix, from which the MN are harvested by PVA matrix dissolution. The use of a dissolvable SMP matrix may be a general strategy to efficiently create systems with complex moving capabilities.},
  language  = {en}
}
@article{ScaliAndersCorrea2021,
  author    = {Scali, Stefano and Anders, Janet and Correa, Luis A.},
  title     = {Local master equations bypass the secular approximation},
  series = {Quantum : the open journal for quantum science},
  volume    = {5},
  journal   = {Quantum : the open journal for quantum science},
  publisher = {Verein zur F{\"o}rderung des Open Access Publizierens in den Quantenwissenschaften},
  address   = {Wien},
  issn      = {2521-327X},
  doi       = {10.22331/q-2021-05-01-451},
  pages     = {24},
  year      = {2021},
  abstract  = {Master equations are a vital tool to model heat flow through nanoscale thermodynamic systems. Most practical devices are made up of interacting subsystems and are often modelled using either local master equations (LMEs) or global master equations (GMEs). While the limiting cases in which either the LME or the GME breaks down are well understood, there exists a 'grey area' in which both equations capture steady-state heat currents reliably but predict very different transient heat flows. In such cases, which one should we trust? Here we show that, when it comes to dynamics, the local approach can be more reliable than the global one for weakly interacting open quantum systems. This is due to the fact that the secular approximation, which underpins the GME, can destroy key dynamical features. To illustrate this, we consider a minimal transport setup and show that its LME displays exceptional points (EPs). These singularities have been observed in a superconducting-circuit realisation of the model [1]. However, in stark contrast to experimental evidence, no EPs appear within the global approach. We then show that the EPs are a feature built into the Redfield equation, which is more accurate than the LME and the GME. Finally, we show that the local approach emerges as the weak-interaction limit of the Redfield equation, and that it entirely avoids the secular approximation.},
  language  = {en}
}
@article{EerqingSubramanianRubioJimenezetal.2021,
  author    = {Eerqing, Narima and Subramanian, Sivaraman and Rubio Jimenez, Jesus and Lutz, Tobias and Wu, Hsin-Yu and Anders, Janet and Soeller, Christian and Vollmer, Frank},
  title     = {Comparing transient oligonucleotide hybridization kinetics using DNA-PAINT and optoplasmonic single-molecule sensing on gold nanorods},
  series = {ACS photonics / American Chemical Society},
  volume    = {8},
  journal   = {ACS photonics / American Chemical Society},
  number    = {10},
  publisher = {American Chemical Society},
  address   = {Washington},
  issn      = {2330-4022},
  doi       = {10.1021/acsphotonics.1c01179},
  pages     = {2882 -- 2888},
  year      = {2021},
  abstract  = {We report a comparison of two photonic techniques for single-molecule sensing: fluorescence nanoscopy and optoplasmonic sensing. As the test system, oligonucleotides with and without fluorescent labels are transiently hybridized to complementary "docking" strands attached to gold nanorods. Comparing the measured single-molecule kinetics helps to examine the influence of the fluorescent labels as well as factors arising from different sensing geometries. Our results demonstrate that DNA dissociation is not significantly altered by the fluorescent labels and that DNA association is affected by geometric factors in the two techniques. These findings open the door to exploiting plasmonic sensing and fluorescence nanoscopy in a complementary fashion, which will aid in building more powerful sensors and uncovering the intricate effects that influence the behavior of single molecules.},
  language  = {en}
}
@article{RitschelCherstvyMetzler2021,
  author    = {Ritschel, Stefan and Cherstvy, Andrey G. and Metzler, Ralf},
  title     = {Universality of delay-time averages for financial time series},
  series = {Journal of physics. Complexity},
  volume    = {2},
  journal   = {Journal of physics. Complexity},
  number    = {4},
  publisher = {IOP Publ. Ltd.},
  address   = {Bristol},
  issn      = {2632-072X},
  doi       = {10.1088/2632-072X/ac2220},
  pages     = {30},
  year      = {2021},
  abstract  = {We analyze historical data of stock-market prices for multiple financial indices using the concept of delay-time averaging for the financial time series (FTS). The region of validity of our recent theoretical predictions [Cherstvy A G et al 2017 New J. Phys. 19 063045] for the standard and delayed time-averaged mean-squared 'displacements' (TAMSDs) of the historical FTS is extended to all lag times. As the first novel element, we perform extensive computer simulations of the stochastic differential equation describing geometric Brownian motion (GBM) which demonstrate a quantitative agreement with the analytical long-term price-evolution predictions in terms of the delayed TAMSD (for all stock-market indices in crisis-free times). Secondly, we present a robust procedure of determination of the model parameters of GBM via fitting the features of the price-evolution dynamics in the FTS for stocks and cryptocurrencies. The employed concept of single-trajectory-based time averaging can serve as a predictive tool (proxy) for a mathematically based assessment and rationalization of probabilistic trends in the evolution of stock-market prices.},
  language  = {en}
}
@article{Omel'chenkoOcampoEspindolaKiss2021,
  author    = {Omel'chenko, Oleh and Ocampo-Espindola, Jorge Luis and Kiss, Istv{\´a}n Z.},
  title     = {Asymmetry-induced isolated fully synchronized state in coupled oscillator populations},
  series = {Physical review : E, Statistical, nonlinear and soft matter physics},
  volume    = {104},
  journal   = {Physical review : E, Statistical, nonlinear and soft matter physics},
  number    = {2},
  publisher = {American Physical Society},
  address   = {Melville, NY},
  issn      = {2470-0045},
  doi       = {10.1103/PhysRevE.104.L022202},
  pages     = {6},
  year      = {2021},
  abstract  = {A symmetry-breaking mechanism is investigated that creates bistability between fully and partially synchronized states in oscillator networks. Two populations of oscillators with unimodal frequency distribution and different amplitudes, in the presence of weak global coupling, are shown to simplify to a modular network with asymmetrical coupling. With increasing the coupling strength, a synchronization transition is observed with an isolated fully synchronized state. The results are interpreted theoretically in the thermodynamic limit and confirmed in experiments with chemical oscillators.},
  language  = {en}
}
@article{GrebenkovMetzlerOshanin2021,
  author    = {Grebenkov, Denis S. and Metzler, Ralf and Oshanin, Gleb},
  title     = {Distribution of first-reaction times with target regions on boundaries of shell-like domains},
  series = {New Journal of Physics (NJP)},
  volume    = {2021},
  journal   = {New Journal of Physics (NJP)},
  edition   = {23},
  publisher = {IOP Publishing},
  address   = {London},
  issn      = {1367-2630},
  doi       = {10.1088/1367-2630/ac4282},
  pages     = {1 -- 23},
  year      = {2021},
  abstract  = {We study the probability density function (PDF) of the first-reaction times between a diffusive ligand and a membrane-bound, immobile imperfect target region in a restricted 'onion-shell' geometry bounded by two nested membranes of arbitrary shapes. For such a setting, encountered in diverse molecular signal transduction pathways or in the narrow escape problem with additional steric constraints, we derive an exact spectral form of the PDF, as well as present its approximate form calculated by help of the so-called self-consistent approximation. For a particular case when the nested domains are concentric spheres, we get a fully explicit form of the approximated PDF, assess the accuracy of this approximation, and discuss various facets of the obtained distributions. Our results can be straightforwardly applied to describe the PDF of the terminal reaction event in multi-stage signal transduction processes.},
  language  = {en}
}
@article{MutothyaXuLietal.2021,
  author    = {Mutothya, Nicholas Mwilu and Xu, Yong and Li, Yongge and Metzler, Ralf and Mutua, Nicholas Muthama},
  title     = {First passage dynamics of stochastic motion in heterogeneous media driven by correlated white Gaussian and coloured non-Gaussian noises},
  series = {Journal of physics. Complexity},
  volume    = {2},
  journal   = {Journal of physics. Complexity},
  publisher = {IOP Publishing},
  address   = {Bristol},
  issn      = {2632-072X},
  doi       = {10.1088/2632-072X/ac35b5},
  pages     = {24},
  year      = {2021},
  abstract  = {We study the first passage dynamics for a diffusing particle experiencing a spatially varying diffusion coefficient while driven by correlated additive Gaussian white noise and multiplicative coloured non-Gaussian noise. We consider three functional forms for position dependence of the diffusion coefficient: power-law, exponential, and logarithmic. The coloured non-Gaussian noise is distributed according to Tsallis' q-distribution. Tracks of the non-Markovian systems are numerically simulated by using the fourth-order Runge-Kutta algorithm and the first passage times (FPTs) are recorded. The FPT density is determined along with the mean FPT (MFPT). Effects of the noise intensity and self-correlation of the multiplicative noise, the intensity of the additive noise, the cross-correlation strength, and the non-extensivity parameter on the MFPT are discussed.},
  language  = {en}
}
@article{DeckerBornRuotsalainenetal.2021,
  author    = {Decker, Regis and Born, Artur and Ruotsalainen, Kari and Bauer, Karl and Haverkamp, Robert and B{\"u}chner, Robby and Pietzsch, Annette and F{\"o}hlisch, Alexander},
  title     = {Spin-lattice angular momentum transfer of localized and valence electrons in the demagnetization transient state of gadolinium},
  series = {Applied physics letters},
  volume    = {119},
  journal   = {Applied physics letters},
  number    = {15},
  publisher = {AIP Publishing},
  address   = {Melville},
  issn      = {0003-6951},
  doi       = {10.1063/5.0063404},
  pages     = {5},
  year      = {2021},
  abstract  = {The electron-phonon scattering is one of the main microscopic mechanisms responsible for the spin-flip in the transient state of ultrafast demagnetization. Here, we present an experimental determination of the temperature-dependent electron-phonon scattering rate in Gd. Using a static x-ray emission spectroscopy method, where the reduction of the decay peak intensities when increasing the temperature is quantified, we measure independently the electron-phonon scattering rate for the 5d and the 4f electrons. We deduce the temperature dependence of scattering for the 5d electrons, while no effect on the phonon population is observed for the 4f electrons. Our results suggest that the ultrafast magnetization dynamics in Gd is triggered by the spin-flip in the 5d electrons. We also evidence the existence of a temperature threshold, above which spin-flip scattering of the 5d electrons takes place. We deduce that during the transient state of ultrafast demagnetization, the exchange energy between 5d electrons has to be overcome before the microscopic electron-phonon scattering process can occur.},
  language  = {en}
}