@article{ZaldenQuirinSchumacheretal.2019, author = {Zalden, Peter and Quirin, Florian and Schumacher, Mathias and Siegel, Jan and Wei, Shuai and Koc, Azize and Nicoul, Matthieu and Trigo, Mariano and Andreasson, Pererik and Enquist, Henrik and Shu, Michael J. and Pardini, Tommaso and Chollet, Matthieu and Zhu, Diling and Lemke, Henrik and Ronneberger, Ider and Larsson, J{\"o}rgen and Lindenberg, Aaron M. and Fischer, Henry E. and Hau-Riege, Stefan and Reis, David A. and Mazzarello, Riccardo and Wuttig, Matthias and Sokolowski-Tinten, Klaus}, title = {Femtosecond x-ray diffraction reveals a liquid-liquid phase transition in phase-change materials}, series = {Science}, volume = {364}, journal = {Science}, number = {6445}, publisher = {American Assoc. for the Advancement of Science}, address = {Washington, DC}, issn = {0036-8075}, doi = {10.1126/science.aaw1773}, pages = {1062 -- 1067}, year = {2019}, abstract = {In phase-change memory devices, a material is cycled between glassy and crystalline states. The highly temperature-dependent kinetics of its crystallization process enables application in memory technology, but the transition has not been resolved on an atomic scale. Using femtosecond x-ray diffraction and ab initio computer simulations, we determined the time-dependent pair-correlation function of phase-change materials throughout the melt-quenching and crystallization process. We found a liquid-liquid phase transition in the phase-change materials Ag4In3Sb67Te26 and Ge15Sb85 at 660 and 610 kelvin, respectively. The transition is predominantly caused by the onset of Peierls distortions, the amplitude of which correlates with an increase of the apparent activation energy of diffusivity. This reveals a relationship between atomic structure and kinetics, enabling a systematic optimization of the memory-switching kinetics.}, language = {en} } @article{GoettgensWeilbacherRothetal.2019, author = {G{\"o}ttgens, Fabian and Weilbacher, Peter Michael and Roth, Martin M. and Dreizler, Stefan and Giesers, Benjamin and Husser, Tim-Oliver and Kamann, Sebastian and Brinchmann, Jarle and Kollatschny, Wolfram and Monreal-Ibero, Ana and Schmidt, Kasper Borello and Wendt, Martin and Wisotzki, Lutz and Bacon, Roland}, title = {Discovery of an old nova remnant in the Galactic globular cluster M 22}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {626}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201935221}, pages = {6}, year = {2019}, abstract = {A nova is a cataclysmic event on the surface of a white dwarf in a binary system that increases the overall brightness by several orders of magnitude. Although binary systems with a white dwarf are expected to be overabundant in globular clusters compared with in the Galaxy, only two novae from Galactic globular clusters have been observed. We present the discovery of an emission nebula in the Galactic globular cluster M 22 (NGC 6656) in observations made with the integral-field spectrograph MUSE. We extracted the spectrum of the nebula and used the radial velocity determined from the emission lines to confirm that the nebula is part of NGC 6656. Emission-line ratios were used to determine the electron temperature and density. It is estimated to have a mass of 1-17 x 10(-5) M-circle dot. This mass and the emission-line ratios indicate that the nebula is a nova remnant. Its position coincides with the reported location of a "guest star", an ancient Chinese term for transients, observed in May 48 BCE. With this discovery, this nova may be one of the oldest confirmed extra-solar events recorded in human history.}, language = {en} } @article{VazdaCruzIgnatovaCoutoetal.2019, author = {Vaz da Cruz, Vin{\´i}cius and Ignatova, Nina and Couto, Rafael and Fedotov, Daniil and Rehn, Dirk R. and Savchenko, Viktoriia and Norman, Patrick and {\AA}gren, Hans and Polyutov, Sergey and Niskanen, Johannes and Eckert, Sebastian and Jay, Raphael Martin and Fondell, Mattis and Schmitt, Thorsten and Pietzsch, Annette and F{\"o}hlisch, Alexander and Odelius, Michael and Kimberg, Victor and Gel'mukhanov, Faris}, title = {Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol}, series = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, volume = {150}, journal = {The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr}, number = {23}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0021-9606}, doi = {10.1063/1.5092174}, pages = {20}, year = {2019}, abstract = {We report on a combined theoretical and experimental study of core-excitation spectra of gas and liquid phase methanol as obtained with the use of X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS). The electronic transitions are studied with computational methods that include strict and extended second-order algebraic diagrammatic construction [ADC(2) and ADC(2)-x], restricted active space second-order perturbation theory, and time-dependent density functional theory-providing a complete assignment of the near oxygen K-edge XAS. We show that multimode nuclear dynamics is of crucial importance for explaining the available experimental XAS and RIXS spectra. The multimode nuclear motion was considered in a recently developed "mixed representation" where dissociative states and highly excited vibrational modes are accurately treated with a time-dependent wave packet technique, while the remaining active vibrational modes are described using Franck-Condon amplitudes. Particular attention is paid to the polarization dependence of RIXS and the effects of the isotopic substitution on the RIXS profile in the case of dissociative core-excited states. Our approach predicts the splitting of the 2a RIXS peak to be due to an interplay between molecular and pseudo-atomic features arising in the course of transitions between dissociative core- and valence-excited states. The dynamical nature of the splitting of the 2a peak in RIXS of liquid methanol near pre-edge core excitation is shown. The theoretical results are in good agreement with our liquid phase measurements and gas phase experimental data available from the literature. (C) 2019 Author(s).}, language = {en} } @article{DeckerBornBuechneretal.2019, author = {Decker, R{\´e}gis and Born, Artur and B{\"u}chner, Robby and Ruotsalainen, Kari and Str{\aa}hlman, Christian and Neppl, Stefan and Haverkamp, Robert and Pietzsch, Annette and F{\"o}hlisch, Alexander}, title = {Measuring the atomic spin-flip scattering rate by x-ray emission spectroscopy}, series = {Scientific reports}, volume = {9}, journal = {Scientific reports}, publisher = {Nature Publ. Group}, address = {London}, issn = {2045-2322}, doi = {10.1038/s41598-019-45242-8}, pages = {6}, year = {2019}, abstract = {While extensive work has been dedicated to the measurement of the demagnetization time following an ultra-short laser pulse, experimental studies of its underlying microscopic mechanisms are still scarce. In transition metal ferromagnets, one of the main mechanism is the spin-flip of conduction electrons driven by electron-phonon scattering. Here, we present an original experimental method to monitor the electron-phonon mediated spin-flip scattering rate in nickel through the stringent atomic symmetry selection rules of x-ray emission spectroscopy. Increasing the phonon population leads to a waning of the 3d -> 2p(3/2) decay peak intensity, which reflects an increase of the angular momentum transfer scattering rate attributed to spin-flip. We find a spin relaxation time scale in the order of 50 fs in the 3d-band of nickel at room temperature, while consistantly, no such peak evolution is observed for the diamagnetic counterexample copper, using the same method.}, language = {en} } @article{LevermannFeldmann2019, author = {Levermann, Anders and Feldmann, Johannes}, title = {Scaling of instability timescales of Antarctic outlet glaciers based on one-dimensional similitude analysis}, series = {The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union}, volume = {13}, journal = {The Cryosphere : TC ; an interactive open access journal of the European Geosciences Union}, number = {6}, publisher = {Copernicus}, address = {G{\"o}ttingen}, issn = {1994-0416}, doi = {10.5194/tc-13-1621-2019}, pages = {1621 -- 1633}, year = {2019}, abstract = {Recent observations and ice-dynamic modeling suggest that a marine ice-sheet instability (MISI) might have been triggered in West Antarctica. The corresponding outlet glaciers, Pine Island Glacier (PIG) and Thwaites Glacier (TG), showed significant retreat during at least the last 2 decades. While other regions in Antarctica have the topographic predisposition for the same kind of instability, it is so far unclear how fast these instabilities would unfold if they were initiated. Here we employ the concept of similitude to estimate the characteristic timescales of several potentially MISI-prone outlet glaciers around the Antarctic coast. Our results suggest that TG and PIG have the fastest response time of all investigated outlets, with TG responding about 1.25 to 2 times as fast as PIG, while other outlets around Antarctica would be up to 10 times slower if destabilized. These results have to be viewed in light of the strong assumptions made in their derivation. These include the absence of ice-shelf buttressing, the one-dimensionality of the approach and the uncertainty of the available data. We argue however that the current topographic situation and the physical conditions of the MISI-prone outlet glaciers carry the information of their respective timescale and that this information can be partially extracted through a similitude analysis.}, language = {en} } @article{ZuWolffRalaiarisoaetal.2019, author = {Zu, Fengshuo and Wolff, Christian Michael and Ralaiarisoa, Maryline and Amsalem, Patrick and Neher, Dieter and Koch, Norbert}, title = {Unraveling the Electronic Properties of Lead Halide Perovskites with Surface Photovoltage in Photoemission Studies}, series = {ACS applied materials \& interfaces}, volume = {11}, journal = {ACS applied materials \& interfaces}, number = {24}, publisher = {American Chemical Society}, address = {Washington}, issn = {1944-8244}, doi = {10.1021/acsami.9b05293}, pages = {21578 -- 21583}, year = {2019}, abstract = {The tremendous success of metal-halide perovskites, especially in the field of photovoltaics, has triggered a substantial number of studies in understanding their optoelectronic properties. However, consensus regarding the electronic properties of these perovskites is lacking due to a huge scatter in the reported key parameters, such as work function (Φ) and valence band maximum (VBM) values. Here, we demonstrate that the surface photovoltage (SPV) is a key phenomenon occurring at the perovskite surfaces that feature a non-negligible density of surface states, which is more the rule than an exception for most materials under study. With ultraviolet photoelectron spectroscopy (UPS) and Kelvin probe, we evidence that even minute UV photon fluxes (500 times lower than that used in typical UPS experiments) are sufficient to induce SPV and shift the perovskite Φ and VBM by several 100 meV compared to dark. By combining UV and visible light, we establish flat band conditions (i.e., compensate the surface-state-induced surface band bending) at the surface of four important perovskites, and find that all are p-type in the bulk, despite a pronounced n-type surface character in the dark. The present findings highlight that SPV effects must be considered in all surface studies to fully understand perovskites' photophysical properties.}, language = {en} } @article{WuerfelPerdigonToroKurpiersetal.2019, author = {W{\"u}rfel, Uli and Perdig{\´o}n-Toro, Lorena and Kurpiers, Jona and Wolff, Christian Michael and Caprioglio, Pietro and Rech, Jeromy James and Zhu, Jingshuai and Zhan, Xiaowei and You, Wei and Shoaee, Safa and Neher, Dieter and Stolterfoht, Martin}, title = {Recombination between Photogenerated and Electrode-Induced Charges Dominates the Fill Factor Losses in Optimized Organic Solar Cells}, series = {The journal of physical chemistry letters}, volume = {10}, journal = {The journal of physical chemistry letters}, number = {12}, publisher = {American Chemical Society}, address = {Washington}, issn = {1948-7185}, doi = {10.1021/acs.jpclett.9b01175}, pages = {3473 -- 3480}, year = {2019}, abstract = {Charge extraction in organic solar cells (OSCs) is commonly believed to be limited by bimolecular recombination of photogenerated charges. However, the fill factor of OSCs is usually almost entirely governed by recombination processes that scale with the first order of the light intensity. This linear loss was often interpreted to be a consequence of geminate or trap-assisted recombination. Numerical simulations show that this linear dependence is a direct consequence of the large amount of excess dark charge near the contact. The first-order losses increase with decreasing mobility of minority carriers, and we discuss the impact of several material and device parameters on this loss mechanism. This work highlights that OSCs are especially vulnerable to injected charges as a result of their poor charge transport properties. This implies that dark charges need to be better accounted for when interpreting electro-optical measurements and charge collection based on simple figures of merit.}, language = {en} } @article{BoumaRichterFechner2019, author = {Bouma, Sietske Jeltje Deirdre and Richter, Philipp and Fechner, Cora}, title = {A population of high-velocity absorption-line systems residing in the Local Group}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {627}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201935078}, pages = {12}, year = {2019}, abstract = {Aims. We investigated the ionisation conditions and distances of Galactic high-velocity clouds (HVCs) in the Galactic halo and beyond in the direction of the Local Group (LG) barycentre and anti-barycentre, by studying spectral data of 29 extragalactic background sources obtained with the Cosmic Origins Spectropgraph (COS) installed on the Hubble Space Telescope (HST). Methods. We model column-densities of low, intermediate, and high ions such as Si ii, C ii, Si iii, Si vi, and C iv, and use these data to construct a set of Cloudy ionisation models. Results. In total, we found 69 high-velocity absorption components along the 29 lines of sight. The components in the direction of the LG barycentre span the entire range of studied velocities, 100 less than or similar to vertical bar nu(LSR)vertical bar less than or similar to 400 km s(-1), while those in the anti-barycentre sample have velocities up to about 300 km s(-1). For 49 components, we infer the gas densities. In the direction of the LG barycentre, the gas densities exhibit a wide range from log nH = -3.96 to -2.55, while in the anti-barycentre direction the densities are systematically higher, log nH > -3.25. The barycentre absorbers can be split into two groups based on their density: a high-density group with log nH > -3.54, which can be affected by the Milky Way radiation field, and a low-density group (log nH <= -3.54). The latter has very low thermal pressures of P/k < 7.3 Kcm(-3). Conclusions. Our study shows that part of the absorbers in the LG barycentre direction trace gas at very low gas densities and thermal pressures. These properties indicate that the absorbers are located beyond the virial radius of the Milky Way. Our study also confirms results from earlier, single-sightline studies, suggesting the presence of a metal-enriched intragroup medium filling the LG near its barycentre.}, language = {en} } @misc{ElNagarLauermannSarhanetal.2019, author = {El-Nagar, Gumaa A. and Lauermann, Iver and Sarhan, Radwan Mohamed and Roth, Christina}, title = {Hierarchically structured iron-doped silver (Ag-Fe) lotus flowers for an efficient oxygen reduction reaction (vol 10, pg 7304 -7310, 2018)}, series = {Nanoscale}, volume = {11}, journal = {Nanoscale}, number = {24}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2040-3364}, doi = {10.1039/c9nr90131k}, pages = {11975 -- 11975}, year = {2019}, language = {en} } @article{OskinovaBikMasHesseetal.2019, author = {Oskinova, Lida and Bik, A. and Mas-Hesse, J. M. and Hayes, M. and Adamo, A. and {\"O}stlin, G{\"o}ran and F{\"u}rst, F. and Ot{\´i}-Floranes, H.}, title = {ULX contribution to stellar feedback}, series = {Astronomy and astrophysics : an international weekly journal}, volume = {627}, journal = {Astronomy and astrophysics : an international weekly journal}, publisher = {EDP Sciences}, address = {Les Ulis}, issn = {1432-0746}, doi = {10.1051/0004-6361/201935414}, pages = {7}, year = {2019}, abstract = {Context. X-ray radiation from accreting compact objects is an important part of stellar feedback. The metal-poor galaxy ESO 338-4 has experienced vigorous starburst during the last <40 Myr and contains some of the most massive super star clusters in the nearby Universe. Given its starburst age and its star-formation rate, ESO 338-4 is one of the most efficient nearby manufactures of neutron stars and black holes, hence providing an excellent laboratory for feedback studies. Aims. We aim to use X-ray observations with the largest modern X-ray telescopes XMM-Newton and Chandra to unveil the most luminous accreting neutron stars and black holes in ESO 338-4. Methods. We compared X-ray images and spectra with integral field spectroscopic observations in the optical to constrain the nature of strong X-ray emitters. Results. X-ray observations uncover three ultraluminous X-ray sources (ULXs) in ESO 338-4. The brightest among them, ESO 338 X-1, has X-ray luminosity in excess of 10(40) erg s(-1). We speculate that ESO 338-4 X-1 is powered by accretion on an intermediate-mass (greater than or similar to 300 M-circle dot)black hole. We show that X-ray radiation from ULXs and hot superbubbles strongly contributes to He II ionization and general stellar feedback in this template starburst galaxy.}, language = {en} }