@article{SchickBojahrHerzogetal.2014, author = {Schick, Daniel and Bojahr, Andre and Herzog, Marc and Shayduk, Roman and von Korff Schmising, Clemens and Bargheer, Matias}, title = {Udkm1Dsim-A simulation toolkit for 1D ultrafast dynamics in condensed matter}, series = {Computer physics communications : an international journal devoted to computational physics and computer programs in physics}, volume = {185}, journal = {Computer physics communications : an international journal devoted to computational physics and computer programs in physics}, number = {2}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0010-4655}, doi = {10.1016/j.cpc.2013.10.009}, pages = {651 -- 660}, year = {2014}, abstract = {The UDKM1DSIM toolbox is a collection of MATLAB (MathWorks Inc.) classes and routines to simulate the structural dynamics and the according X-ray diffraction response in one-dimensional crystalline sample structures upon an arbitrary time-dependent external stimulus, e.g. an ultrashort laser pulse. The toolbox provides the capabilities to define arbitrary layered structures on the atomic level including a rich database of corresponding element-specific physical properties. The excitation of ultrafast dynamics is represented by an N-temperature model which is commonly applied for ultrafast optical excitations. Structural dynamics due to thermal stress are calculated by a linear-chain model of masses and springs. The resulting X-ray diffraction response is computed by dynamical X-ray theory. The UDKM1DSIM toolbox is highly modular and allows for introducing user-defined results at any step in the simulation procedure. Program summary Program title: udkm1Dsim Catalogue identifier: AERH_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AERH_v1_0.html Licensing provisions: BSD No. of lines in distributed program, including test data, etc.: 130221 No. of bytes in distributed program, including test data, etc.: 2746036 Distribution format: tar.gz Programming language: Matlab (MathWorks Inc.). Computer: PC/Workstation. Operating system: Running Matlab installation required (tested on MS Win XP -7, Ubuntu Linux 11.04-13.04). Has the code been vectorized or parallelized?: Parallelization for dynamical XRD computations. Number of processors used: 1-12 for Matlab Parallel Computing Toolbox; 1 - infinity for Matlab Distributed Computing Toolbox External routines: Optional: Matlab Parallel Computing Toolbox, Matlab Distributed Computing Toolbox Required (included in the package): mtimesx Fast Matrix Multiply for Matlab by James Tursa, xml io tools by Jaroslaw Tuszynski, textprogressbar by Paul Proteus Nature of problem: Simulate the lattice dynamics of 1D crystalline sample structures due to an ultrafast excitation including thermal transport and compute the corresponding transient X-ray diffraction pattern. Solution method: Restrictions: The program is restricted to 1D sample structures and is further limited to longitudinal acoustic phonon modes and symmetrical X-ray diffraction geometries. Unusual features: The program is highly modular and allows the inclusion of user-defined inputs at any time of the simulation procedure. Running time: The running time is highly dependent on the number of unit cells in the sample structure and other simulation parameters such as time span or angular grid for X-ray diffraction computations. However, the example files are computed in approx. 1-5 min each on a 8 Core Processor with 16 GB RAM available.}, language = {en} } @article{vonReppertWilligPudelletal.2018, author = {von Reppert, Alexander and Willig, Lisa and Pudell, Jan-Etienne and Roessle, M. and Leitenberger, Wolfram and Herzog, Marc and Ganss, F. and Hellwig, O. and Bargheer, Matias}, title = {Ultrafast laser generated strain in granular and continuous FePt thin films}, series = {Applied physics letters}, volume = {113}, journal = {Applied physics letters}, number = {12}, publisher = {American Institute of Physics}, address = {Melville}, issn = {0003-6951}, doi = {10.1063/1.5050234}, pages = {5}, year = {2018}, abstract = {We employ ultrafast X-ray diffraction to compare the lattice dynamics of laser-excited continuous and granular FePt films on MgO (100) substrates. Contrary to recent results on free-standing granular films, we observe in both cases a pronounced and long-lasting out-of-plane expansion. We attribute this discrepancy to the in-plane expansion, which is suppressed by symmetry in continuous films. Granular films on substrates are less constrained and already show a reduced out-of-plane contraction. Via the Poisson effect, out-of-plane contractions drive in-plane expansion and vice versa. Consistently, the granular film exhibits a short-lived out-of-plane contraction driven by ultrafast demagnetization which is followed by a reduced and delayed expansion. From the acoustic reflections of the observed strain waves at the film-substrate interface, we extract a 13\% reduction of the elastic constants in thin 10 nm FePt films compared to bulk-like samples. (C) 2018 Author(s).}, language = {en} } @article{SchickHerzogBojahretal.2014, author = {Schick, Daniel and Herzog, Marc and Bojahr, Andre and Leitenberger, Wolfram and Hertwig, Andreas and Shayduk, Roman and Bargheer, Matias}, title = {Ultrafast lattice response of photoexcited thin films studied by X-ray diffraction}, series = {Structural dynamics}, volume = {1}, journal = {Structural dynamics}, number = {6}, publisher = {American Institute of Physics}, address = {Melville}, issn = {2329-7778}, doi = {10.1063/1.4901228}, pages = {13}, year = {2014}, abstract = {Using ultrafast X-ray diffraction, we study the coherent picosecond lattice dynamics of photoexcited thin films in the two limiting cases, where the photoinduced stress profile decays on a length scale larger and smaller than the film thickness. We solve a unifying analytical model of the strain propagation for acoustic impedance-matched opaque films on a semi-infinite transparent substrate, showing that the lattice dynamics essentially depend on two parameters: One for the spatial profile and one for the amplitude of the strain. We illustrate the results by comparison with high-quality ultrafast X-ray diffraction data of SrRuO3 films on SrTiO3 substrates. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.}, language = {en} } @article{HerzogLeitenbergerShayduketal.2010, author = {Herzog, Marc and Leitenberger, Wolfram and Shayduk, Roman and van der Veen, Renske Marjan and Milne, Chris J. and Johnson, Steven Lee and Vrejoiu, Ionela and Alexe, Marin and Hesse, Dietrich and Bargheer, Matias}, title = {Ultrafast manipulation of hard x-rays by efficient Bragg switches}, issn = {0003-6951}, doi = {10.1063/1.3402773}, year = {2010}, abstract = {We experimentally demonstrate efficient switching of the hard x-ray Bragg reflectivity of a SrRuO3 /SrTiO3 superlattice by optical excitation of large-amplitude coherent acoustic superlattice phonons. The rocking curve changes drastically on a 1 ps timescale. The (0 0 116) reflection is almost extinguished (Delta R/R-0=-0.91), while the (0 0 118) reflection increases by more than an order of magnitude (Delta R/R-0=24.1). The change of the x-ray structure factor depends nonlinearly on the phonon amplitude, allowing manipulation of the x-ray response on a timescale considerably shorter than the phonon period. Numerical simulations for a superlattice with slightly changed geometry and realistic parameters predict a switching-contrast ratio Delta R/R-0 of 700 with high reflectivity.}, language = {en} } @article{PudellvonReppertSchicketal.2019, author = {Pudell, Jan-Etienne and von Reppert, Alexander and Schick, D. and Zamponi, F. and R{\"o}ssle, Matthias and Herzog, Marc and Zabel, Hartmut and Bargheer, Matias}, title = {Ultrafast negative thermal expansion driven by spin disorder}, series = {Physical review : B, Condensed matter and materials physics}, volume = {99}, journal = {Physical review : B, Condensed matter and materials physics}, number = {9}, publisher = {American Physical Society}, address = {College Park}, issn = {2469-9950}, doi = {10.1103/PhysRevB.99.094304}, pages = {7}, year = {2019}, abstract = {We measure the transient strain profile in a nanoscale multilayer system composed of yttrium, holmium, and niobium after laser excitation using ultrafast x-ray diffraction. The strain propagation through each layer is determined by transient changes in the material-specific Bragg angles. We experimentally derive the exponentially decreasing stress profile driving the strain wave and show that it closely matches the optical penetration depth. Below the Neel temperature of Ho, the optical excitation triggers negative thermal expansion, which is induced by a quasi-instantaneous contractive stress and a second contractive stress contribution increasing on a 12-ps timescale. These two timescales were recently measured for the spin disordering in Ho [Rettig et al., Phys. Rev. Lett. 116, 257202 (2016)]. As a consequence, we observe an unconventional bipolar strain pulse with an inverted sign traveling through the heterostructure.}, language = {en} } @article{SchickShaydukBojahretal.2013, author = {Schick, Daniel and Shayduk, Roman and Bojahr, Andre and Herzog, Marc and von Korff Schmising, Clemens and Gaal, Peter and Bargheer, Matias}, title = {Ultrafast reciprocal-space mapping with a convergent beam}, series = {JOURNAL OF APPLIED CRYSTALLOGRAPHY}, volume = {46}, journal = {JOURNAL OF APPLIED CRYSTALLOGRAPHY}, number = {10}, publisher = {WILEY-BLACKWELL}, address = {HOBOKEN}, issn = {0021-8898}, doi = {10.1107/S0021889813020013}, pages = {1372 -- 1377}, year = {2013}, abstract = {A diffractometer setup is presented, based on a laser-driven plasma X-ray source for reciprocal-space mapping with femtosecond temporal resolution. In order to map out the reciprocal space, an X-ray optic with a convergent beam is used with an X-ray area detector to detect symmetrically and asymmetrically diffracted X-ray photons simultaneously. The setup is particularly suited for measuring thin films or imperfect bulk samples with broad rocking curves. For quasi-perfect crystalline samples with insignificant in-plane Bragg peak broadening, the measured reciprocal-space maps can be corrected for the known resolution function of the diffractometer in order to achieve high-resolution rocking curves with improved data quality. In this case, the resolution of the diffractometer is not limited by the convergence of the incoming X-ray beam but is solely determined by its energy bandwidth.}, language = {en} } @article{WoernervonKorffSchmisingBargheeretal.2009, author = {Woerner, Michael and von Korff Schmising, Clemens and Bargheer, Matias and Zhavoronkov, Nickolai and Vrejoiu, Ionela and Hesse, Dietrich and Alexe, Marin and Elsaesser, Thomas}, title = {Ultrafast structural dynamics of perovskite superlattices}, issn = {0947-8396}, doi = {10.1007/s00339-009-5174-6}, year = {2009}, abstract = {Femtosecond x-ray diffraction provides direct insight into the ultrafast reversible lattice dynamics of materials with a perovskite structure. Superlattice (SL) structures consisting of a sequence of nanometer-thick layer pairs allow for optically inducing a tailored stress profile that drives the lattice motions and for limiting the influence of strain propagation on the observed dynamics. We demonstrate this concept in a series of diffraction experiments with femtosecond time resolution, giving detailed information on the ultrafast lattice dynamics of ferroelectric and ferromagnetic superlattices. Anharmonically coupled lattice motions in a SrRuO3/PbZr0.2Ti0.8O3 (SRO/ PZT) SL lead to a switch-off of the electric polarizations on a time scale of the order of 1 ps. Ultrafast magnetostriction of photoexcited SRO layers is demonstrated in a SRO/SrTiO3 (STO) SL.}, language = {en} } @article{GaalSchickHerzogetal.2014, author = {Gaal, Peter and Schick, Daniel and Herzog, Marc and Bojahr, Andre and Shayduk, Roman and Goldshteyn, Jevgeni and Leitenberger, Wolfram and Vrejoiu, Ionela and Khakhulin, Dmitry and Wulff, Michael and Bargheer, Matias}, title = {Ultrafast switching of hard X-rays}, series = {Journal of synchrotron radiation}, volume = {21}, journal = {Journal of synchrotron radiation}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {0909-0495}, doi = {10.1107/S1600577513031949}, pages = {380 -- 385}, year = {2014}, abstract = {A new concept for shortening hard X-ray pulses emitted from a third-generation synchrotron source down to few picoseconds is presented. The device, called the PicoSwitch, exploits the dynamics of coherent acoustic phonons in a photo-excited thin film. A characterization of the structure demonstrates switching times of <= 5 ps and a peak reflectivity of similar to 10(-3). The device is tested in a real synchrotron-based pump-probe experiment and reveals features of coherent phonon propagation in a second thin film sample, thus demonstrating the potential to significantly improve the temporal resolution at existing synchrotron facilities.}, language = {en} } @article{KocReinhardtvonReppertetal.2017, author = {Koc, Azize and Reinhardt, M. and von Reppert, Alexander and Roessle, Matthias and Leitenberger, Wolfram and Dumesnil, K. and Gaal, Peter and Zamponi, Flavio and Bargheer, Matias}, title = {Ultrafast x-ray diffraction thermometry measures the influence of spin excitations on the heat transport through nanolayers}, series = {Physical review : B, Condensed matter and materials physics}, volume = {96}, journal = {Physical review : B, Condensed matter and materials physics}, publisher = {American Physical Society}, address = {College Park}, issn = {2469-9950}, doi = {10.1103/PhysRevB.96.014306}, pages = {7}, year = {2017}, abstract = {We investigate the heat transport through a rare earth multilayer system composed of yttrium (Y), dysprosium (Dy), and niobium (Nb) by ultrafast x-ray diffraction. This is an example of a complex heat flow problem on the nanoscale, where several different quasiparticles carry the heat and conserve a nonequilibrium for more than 10 ns. The Bragg peak positions of each layer represent layer-specific thermometers that measure the energy flow through the sample after excitation of the Y top layer with fs-laser pulses. In an experiment-based analytic solution to the nonequilibrium heat transport problem, we derive the individual contributions of the spins and the coupled electron-lattice system to the heat conduction. The full characterization of the spatiotemporal energy flow at different starting temperatures reveals that the spin excitations of antiferromagnetic Dy speed up the heat transport into the Dy layer at low temperatures, whereas the heat transport through this layer and further into the Y and Nb layers underneath is slowed down. The experimental findings are compared to the solution of the heat equation using macroscopic temperature-dependent material parameters without separation of spin and phonon contributions to the heat. We explain why the simulated energy density matches our experiment-based derivation of the heat transport, although the simulated thermoelastic strain in this simulation is not even in qualitative agreement.}, language = {en} } @article{vonReppertMatternPudelletal.2020, author = {von Reppert, Alexander and Mattern, Maximilian and Pudell, Jan-Etienne and Zeuschner, Steffen Peer and Dumesnil, Karine and Bargheer, Matias}, title = {Unconventional picosecond strain pulses resulting from the saturation of magnetic stress within a photoexcited rare earth layer}, series = {Structural Dynamics}, volume = {7}, journal = {Structural Dynamics}, number = {024303}, publisher = {AIP Publishing LLC}, address = {Melville, NY}, issn = {2329-7778}, doi = {10.1063/1.5145315}, pages = {13}, year = {2020}, abstract = {Optical excitation of spin-ordered rare earth metals triggers a complex response of the crystal lattice since expansive stresses from electron and phonon excitations compete with a contractive stress induced by spin disorder. Using ultrafast x-ray diffraction experiments, we study the layer specific strain response of a dysprosium film within a metallic heterostructure upon femtosecond laser-excitation. The elastic and diffusive transport of energy to an adjacent, non-excited detection layer clearly separates the contributions of strain pulses and thermal excitations in the time domain. We find that energy transfer processes to magnetic excitations significantly modify the observed conventional bipolar strain wave into a unipolar pulse. By modeling the spin system as a saturable energy reservoir that generates substantial contractive stress on ultrafast timescales, we can reproduce the observed strain response and estimate the time- and space dependent magnetic stress. The saturation of the magnetic stress contribution yields a non-monotonous total stress within the nanolayer, which leads to unconventional picosecond strain pulses.}, language = {en} }