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result(s) for
"Tkachenko, Victor"
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Ultrafast demagnetization in bulk nickel induced by X-ray photons tuned to Ni M 3 and L 3 absorption edges
2024
Studies of light-induced demagnetization started with the experiment performed by Beaupaire et al. on Ni. Here, we present theoretical predictions for X-ray induced demagnetization of nickel, with X-ray photon energies tuned to its [Formula: see text] and [Formula: see text] absorption edges. We show that the specific feature in the density of states in the d-band of Ni, i.e., a sharp peak located just above the Fermi level, strongly influences the change of the predicted magnetic signal, making it stronger than in the previously studied case of X-ray demagnetized cobalt. It impacts also the value of Curie temperature for Ni. We believe that this finding will inspire dedicated experiments investigating magnetic processes in X-ray irradiated nickel and cobalt.
Journal Article
Density functional tight binding approach utilized to study X-ray-induced transitions in solid materials
2022
Intense X-ray pulses from free-electron lasers can trigger ultrafast electronic, structural and magnetic transitions in solid materials, within a material volume which can be precisely shaped through adjustment of X-ray beam parameters. This opens unique prospects for material processing with X rays. However, any fundamental and applicational studies are in need of computational tools, able to predict material response to X-ray radiation. Here we present a dedicated computational approach developed to study X-ray induced transitions in a broad range of solid materials, including those of high chemical complexity. The latter becomes possible due to the implementation of the versatile density functional tight binding code DFTB+ to follow band structure evolution in irradiated materials. The outstanding performance of the implementation is demonstrated with a comparative study of XUV induced graphitization in diamond.
Journal Article
Calculation of effective pump dose in X‐ray‐pump/X‐ray‐probe experiments
by
Stransky, Michal
,
Tkachenko, Victor
,
Kapcia, Konrad J.
in
Boundary conditions
,
dynamical studies
,
femtosecond studies
2025
In pump–probe experiments on solid materials performed within ultrafast X‐ray science, the energy deposited by an X‐ray pump pulse in the sample has a non‐uniform spatial distribution. The following X‐ray probe pulse then measures a volume‐integrated average of contributions from the differently irradiated regions of the sample. Here we propose a scheme to calculate an effective fluence of the pump pulse such that the observable of interest calculated with the effective fluence is very close to the volume‐integrated observable. This approach simplifies computational simulations of X‐ray irradiated solids, which typically use periodic boundary conditions and assume a uniformly irradiated simulation box. Obtaining a prediction on a volume‐integrated observable requires a significant computational effort, as it is necessary to run multiple simulations for the different exposure conditions and then perform their volume integration. The proposed scheme reduces this effort to a single calculation with the effective fluence. A scheme is proposed to calculate an effective fluence of a spatially non‐uniform pump pulse such that the observable of interest calculated with the effective fluence is very close to the volume‐integrated observable. This approach simplifies computational simulations of X‐ray irradiated solids.
Journal Article
Time-resolved observation of band-gap shrinking and electron-lattice thermalization within X-ray excited gallium arsenide
by
Wurth, Wilfried
,
Maltezopoulos, Theophilos
,
Tkachenko, Victor
in
639/766/119
,
639/766/1960
,
Conduction
2015
Femtosecond X-ray irradiation of solids excites energetic photoelectrons that thermalize on a timescale of a few hundred femtoseconds. The thermalized electrons exchange energy with the lattice and heat it up. Experiments with X-ray free-electron lasers have unveiled so far the details of the electronic thermalization. In this work we show that the data on transient optical reflectivity measured in GaAs irradiated with femtosecond X-ray pulses can be used to follow electron-lattice relaxation up to a few tens of picoseconds. With a dedicated theoretical framework, we explain the so far unexplained reflectivity overshooting as a result of band-gap shrinking. We also obtain predictions for a timescale of electron-lattice thermalization, initiated by conduction band electrons in the temperature regime of a few eVs. The conduction and valence band carriers were then strongly non-isothermal. The presented scheme is of general applicability and can stimulate further studies of relaxation within X-ray excited narrow band-gap semiconductors.
Journal Article
Non-thermal structural transformation of diamond driven by x-rays
by
Höppner, Hauke
,
Toleikis, Sven
,
Kapcia, Konrad J.
in
Chemistry
,
Crystal lattices
,
Debye-Waller factor
2023
Intense x-ray pulses can cause the non-thermal structural transformation of diamond. At the SACLA XFEL facility, pump x-ray pulses triggered this phase transition, and probe x-ray pulses produced diffraction patterns. Time delays were observed from 0 to 250 fs, and the x-ray dose varied from 0.9 to 8.0 eV/atom. The intensity of the (111), (220), and (311) diffraction peaks decreased with time, indicating a disordering of the crystal lattice. From a Debye–Waller analysis, the rms atomic displacements perpendicular to the (111) planes were observed to be significantly larger than those perpendicular to the (220) or (311) planes. At a long time delay of 33 ms, graphite (002) diffraction indicates that graphitization did occur above a threshold dose of 1.2 eV/atom. These experimental results are in qualitative agreement with XTANT+ simulations using a hybrid model based on density-functional tight-binding molecular dynamics.
Journal Article
Limitations of Structural Insight into Ultrafast Melting of Solid Materials with X-ray Diffraction Imaging
by
Jurek, Zoltan
,
Tkachenko, Victor
,
Ziaja, Beata
in
Atoms & subatomic particles
,
Boundary conditions
,
Energy
2021
In this work, we analyze the application of X-ray diffraction imaging techniques to follow ultrafast structural transitions in solid materials using the example of an X-ray pump–X-ray probe experiment with a single-crystal silicon performed at a Linac Coherent Light Source. Due to the spatially non-uniform profile of the X-ray beam, the diffractive signal recorded in this experiment included contributions from crystal parts experiencing different fluences from the peak fluence down to zero. With our theoretical model, we could identify specific processes contributing to the silicon melting in those crystal regions, i.e., the non-thermal and thermal melting whose occurrences depended on the locally absorbed X-ray doses. We then constructed the total volume-integrated signal by summing up the coherent signal contributions (amplitudes) from the various crystal regions and found that this significantly differed from the signals obtained for a few selected uniform fluence values, including the peak fluence. This shows that the diffraction imaging signal obtained for a structurally damaged material after an impact of a non-uniform X-ray pump pulse cannot be always interpreted as the material’s response to a pulse of a specific (e.g., peak) fluence as it is sometimes believed. This observation has to be taken into account in planning and interpreting future experiments investigating structural changes in materials with X-ray diffraction imaging.
Journal Article
Effect of Auger recombination on transient optical properties in XUV and soft X-ray irradiated silicon nitride
by
Höppner, Hauke
,
Büscher, Martin
,
Toleikis, Sven
in
639/624/1020/1095
,
639/766/119
,
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
2021
Spatially encoded measurements of transient optical transmissivity became a standard tool for temporal diagnostics of free-electron-laser (FEL) pulses, as well as for the arrival time measurements in X-ray pump and optical probe experiments. The modern experimental techniques can measure changes in optical coefficients with a temporal resolution better than 10 fs. This, in an ideal case, would imply a similar resolution for the temporal pulse properties and the arrival time jitter between the FEL and optical laser pulses. However, carrier transport within the material and out of its surface, as well as carrier recombination may, in addition, significantly decrease the number of carriers. This would strongly affect the transient optical properties, making the diagnostic measurement inaccurate. Below we analyze in detail the effects of those processes on the optical properties of XUV and soft X-ray irradiated Si
3
N
4
, on sub-picosecond timescales. Si
3
N
4
is a wide-gap insulating material widely used for FEL pulse diagnostics. Theoretical predictions are compared with the published results of two experiments at FERMI and LCLS facilities, and with our own recent measurement. The comparison indicates that three body Auger recombination strongly affects the optical response of Si
3
N
4
after its collisional ionization stops. By deconvolving the contribution of Auger recombination, in future applications one could regain a high temporal resolution for the reconstruction of the FEL pulse properties measured with a Si
3
N
4
-based diagnostics tool.
Journal Article
Statistical analysis of locomotives traction motors performance
2019
In this article the authors quoted results of traction motors speed performance variations statistical analysis and wage wheels bands diameters deviations according to operation data. The authors of this publication offered the method of determining the non-uniformities of current distribution in the power circuit of the locomotive, based on probabilistic approach, and also performed its comparison with classic computation approach. The next statistical performance of the continuous current locomotives traction drive is as follows: mathematical expectation of the motors magnetic flux; mean square deviation of magnetic flux; statistical dispersion and average square deviation of wage wheels bands diameters. With help of the received data it became possible to improve determination of non-uniformities currents deviations on traction motors during loading of the electric locomotives.
Journal Article
Shaping Light in Backward-Wave Nonlinear Hyperbolic Metamaterials
by
Slabko, Vitaly V.
,
George, Thomas F.
,
Myslivets, Sergey A.
in
Computer simulation
,
Electromagnetic radiation
,
Energy
2018
Backward electromagnetic waves are extraordinary waves with contra-directed phase velocity and energy flux. Unusual properties of the coherent nonlinear optical coupling of the phase-matched ordinary and backward electromagnetic waves with contra-directed energy fluxes are described that enable greatly-enhanced frequency and propagation direction conversion, parametrical amplification, as well as control of shape of the light pulses. Extraordinary transient processes that emerge in such metamaterials in pulsed regimes are described. The results of the numerical simulation of particular plasmonic metamaterials with hyperbolic dispersion are presented, which prove the possibility to match phases of such coupled guided ordinary and backward electromagnetic waves. Particular properties of the outlined processes in the proposed metamaterial are demonstrated through numerical simulations. Potential applications include ultra-miniature amplifiers, frequency changing reflectors, modulators, pulse shapers, and remotely actuated sensors.
Journal Article
Ultrafast demagnetization in bulk nickel induced by X-ray photons tuned to Ni M3 and L3 absorption edges
by
Kapcia, Konrad J.
,
Tkachenko, Victor
,
Lichtenstein, Alexander
in
639/766/119/2793
,
639/766/119/997
,
639/766/400/1106
2024
Studies of light-induced demagnetization started with the experiment performed by Beaupaire et al. on Ni. Here, we present theoretical predictions for X-ray induced demagnetization of nickel, with X-ray photon energies tuned to its
M
3
and
L
3
absorption edges. We show that the specific feature in the density of states in the
d
-band of Ni, i.e., a sharp peak located just above the Fermi level, strongly influences the change of the predicted magnetic signal, making it stronger than in the previously studied case of X-ray demagnetized cobalt. It impacts also the value of Curie temperature for Ni. We believe that this finding will inspire dedicated experiments investigating magnetic processes in X-ray irradiated nickel and cobalt.
Journal Article