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Electron-ion coupling in semiconductors beyond Fermi's Golden Rule [On the electron-ion coupling in semiconductors beyond Fermi's Golden Rule]

Journal Article · · Physical Review B
 [1];  [2];  [3];  [4]
  1. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Czech Academy of Sciences, Prague 8 (Czech Republic)
  2. SLAC National Accelerator Lab., Menlo Park, CA (United States); Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  3. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  4. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Polish Academy of Sciences, Krakow (Poland)
+ Show Author Affiliations
In the present study, a theoretical study of electron-phonon (electron-ion) coupling rates in semiconductors driven out of equilibrium is performed. Transient change of optical coefficients reflects the band gap shrinkage in covalently bonded materials, and thus, the heating of atomic lattice. Utilizing this dependence, we test various models of electron-ion coupling. The simulation technique is based on tight-binding molecular dynamics. Our simulations with the dedicated hybrid approach (XTANT) indicate that the widely used Fermi's golden rule can break down describing material excitation on femtosecond time scales. In contrast, dynamical coupling proposed in this work yields a reasonably good agreement of simulation results with available experimental data.
Research Organization:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-76SF00515
OSTI ID:
1368585
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 1 Vol. 95; ISSN 2469-9950; ISSN PRBMDO
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (59)

Two-Temperature Warm Dense Matter Produced by Ultrashort Extreme Vacuum Ultraviolet-Free Electron Laser (EUV-FEL) Pulse journal June 2011
Modeling of Nonthermal Solid-to-Solid Phase Transition in Diamond Irradiated with Femtosecond x-ray FEL Pulse: Modeling of Nonthermal Solid-to-Solid Phase Transition in Diamond Irradiated with Femtosecond x-ray FEL Pulse journal January 2015
The microscopic model of material excitation in swift heavy ion tracks journal March 2013
Outstanding questions in electron-ion energy relaxation, lattice stability, and dielectric function of warm dense matter journal September 2011
Ultrafast Spectroscopy of Semiconductors and Semiconductor Nanostructures book January 1996
Ultrafast Spectroscopy of Semiconductors and Semiconductor Nanostructures book January 1999
Femtosecond laser interactions with dielectric materials: insights of a detailed modeling of electronic excitation and relaxation processes journal August 2012
Heat conductivity of copper in two-temperature state journal March 2016
Femtosecond X-ray induced electron kinetics in dielectrics: application for FEL-pulse-duration monitor journal January 2015
Heating of metals in swift heavy ion tracks by electron–ion energy exchange journal December 1998
Lindhard dielectric function in the relaxation-time approximation and generalized linear response theory journal September 1999
Electron–lattice coupling after high-energy deposition in aluminum
  • Gorbunov, S. A.; Medvedev, N. A.; Terekhin, P. N.
  • Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 354 https://doi.org/10.1016/j.nimb.2014.11.053
journal July 2015
Carrier Relaxation and Lattice Heating Dynamics in Silicon Revealed by Femtosecond Electron Diffraction † journal December 2006
Atomistic Modeling of Short Pulse Laser Ablation of Metals: Connections between Melting, Spallation, and Phase Explosion journal May 2009
Single-shot pulse duration monitor for extreme ultraviolet and X-ray free-electron lasers journal April 2013
Inducing and probing non-thermal transitions in semiconductors using femtosecond laser pulses journal December 2002
A femtosecond X-ray/optical cross-correlator journal February 2008
Achieving few-femtosecond time-sorting at hard X-ray free-electron lasers journal February 2013
Ultrabright X-ray laser scattering for dynamic warm dense matter physics journal March 2015
Observation of inhibited electron-ion coupling in strongly heated graphite journal November 2012
Time-resolved observation of band-gap shrinking and electron-lattice thermalization within X-ray excited gallium arsenide journal December 2015
Measurement of Electron-Ion Relaxation in Warm Dense Copper journal January 2016
Coherent switching with decay of mixing: An improved treatment of electronic coherence for non-Born–Oppenheimer trajectories journal January 2004
Algorithmic decoherence time for decay-of-mixing non–Born–Oppenheimer dynamics journal July 2008
Molecular dynamics with electronic transitions journal July 1990
Perspective: Nonadiabatic dynamics theory journal December 2012
The liquid-liquid phase transition in silicon revealed by snapshots of valence electrons journal August 2010
Single-shot timing measurement of extreme-ultraviolet free-electron laser pulses journal March 2008
Nonthermal phase transitions in semiconductors induced by a femtosecond extreme ultraviolet laser pulse journal January 2013
Correlations in Space and Time and Born Approximation Scattering in Systems of Interacting Particles journal July 1954
Lindhard Dielectric Function in the Relaxation-Time Approximation journal March 1970
Dynamical theory of the laser-induced lattice instability of silicon journal November 1992
Monte Carlo study of electron transport in silicon inversion layers journal July 1993
Ultrafast laser-induced order-disorder transitions in semiconductors journal May 1995
Microscopic analysis of the laser-induced femtosecond graphitization of diamond journal August 1999
Ultrafast dynamics of nonequilibrium electrons in metals under femtosecond laser irradiation journal May 2002
Tight-binding calculation of the optical absorption cross section of spherical and ellipsoidal silicon nanocrystals journal August 2005
Thermodynamic pathways to melting, ablation, and solidification in absorbing solids under pulsed laser irradiation journal April 2006
Electron-phonon coupling and electron heat capacity of metals under conditions of strong electron-phonon nonequilibrium journal February 2008
Relaxation dynamics in laser-excited metals under nonequilibrium conditions journal January 2013
Photon energy dependence of graphitization threshold for diamond irradiated with an intense XUV FEL pulse journal August 2013
Thermal and nonthermal melting of silicon under femtosecond x-ray irradiation journal February 2015
Transient optical properties of semiconductors under femtosecond x-ray irradiation journal April 2016
Energy relaxation in dense, strongly coupled two-temperature plasmas journal April 2010
Dielectric function of dense plasmas, their stopping power, and sum rules journal November 2014
Electronically Driven Structure Changes of Si Captured by Femtosecond Electron Diffraction journal April 2008
Electron-Ion Equilibration in Ultrafast Heated Graphite journal April 2014
Theory of thermal relaxation of electrons in metals journal September 1987
Thermal equilibration in a shock wave journal April 1992
Electron-Phonon Coupling and Energy Flow in a Simple Metal beyond the Two-Temperature Approximation journal April 2016
Theory of ultrafast phenomena in photoexcited semiconductors journal August 2002
Non-thermal phase transitions in semiconductors under femtosecond XUV irradiation conference May 2013
Thermal conductivity and the electron-ion heat transfer coefficient in condensed media with a strongly excited electron subsystem journal March 2013
Semiclassical Approximation of Electron-Phonon Scattering Beyond Fermi's Golden Rule journal January 2004
Non-equilibrium electron and phonon dynamics in metals under femtosecond laser pulses journal August 2007
Measurement of the electron-phonon coupling factor dependence on film thickness and grain size in Au, Cr, and Al journal January 1999
Influence of interband transitions on electron-phonon coupling measurements in Ni films journal January 2007
Electron-phonon coupling and energy flow in a simple metal beyond the two-temperature approximation text January 2015
Time-resolved observation of band-gap shrinking and electron-lattice thermalization within X-ray excited gallium arsenide text January 2015

Cited By (15)

Superionic State in Alumina Produced by Nonthermal Melting journal January 2020
Multistep transition of diamond to warm dense matter state revealed by femtosecond X-ray diffraction journal March 2018
Controlled strong excitation of silicon as a step towards processing materials at sub-nanometer precision journal November 2019
Various damage mechanisms in carbon and silicon materials under femtosecond X-ray irradiation journal January 2018
Contrasting behavior of covalent and molecular carbon allotropes exposed to extreme ultraviolet and soft x-ray free-electron laser radiation journal December 2017
Thermal and nonthermal melting of III-V compound semiconductors journal April 2019
Influence of model parameters on a simulation of x-ray irradiated materials: example of XTANT code conference May 2017
Modeling of XUV-induced damage in Ru films: the role of model parameters journal January 2018
Influence of model parameters on a simulation of x-ray irradiated materials: example of XTANT code text January 2017
Contrasting behavior of covalent and molecular carbon allotropes exposed to extreme ultraviolet and soft x-ray free-electron laser radiation text January 2017
Multistep transition of diamond to warm dense matter state revealed by femtosecond X-ray diffraction text January 2018
Various damage mechanisms in carbon and silicon materials under femtosecond X-ray irradiation text January 2018
Modeling of XUV-induced damage in Ru films: the role of model parameters text January 2018
Controlled strong excitation of silicon as a step towards processing materials at sub-nanometer precision text January 2019
Multistep transition of diamond to warm dense matter state revealed by femtosecond X-ray diffraction text January 2017

Figures / Tables (7)

FIG. 1(p. 5)figure FIG. 1
FIG. 2(p. 6)figure FIG. 2
FIG. 3(p. 7)figure FIG. 3
FIG. 4(p. 8)figure FIG. 4
FIG. 5(p. 9)figure FIG. 5
TABLE I(p. 11)table TABLE I
TABLE II(p. 11)table TABLE II

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