Electronic nonequilibrium effect in ultrafast-laser-irradiated solids

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389021%3A_____%2F24%3A00617067" target="_blank" >RIV/61389021:_____/24:00617067 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/24:00585129

Výsledek na webu

<a href="https://iopscience.iop.org/article/10.1088/1402-4896/ad13df" target="_blank" >https://iopscience.iop.org/article/10.1088/1402-4896/ad13df</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/1402-4896/ad13df" target="_blank" >10.1088/1402-4896/ad13df</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Electronic nonequilibrium effect in ultrafast-laser-irradiated solids

Popis výsledku v původním jazyce

This paper describes the effects of electronic nonequilibrium in a simulation of ultrafast laser irradiation of materials. The simulation scheme based on tight-binding molecular dynamics, in which the electronic populations are traced with a combined Monte Carlo and Boltzmann equation, enables the modeling of nonequilibrium, nonthermal, and nonadiabatic (electron-phonon coupling) effects simultaneously. The electron-electron thermalization is described within the relaxation-time approximation, which automatically restores various known limits such as instantaneous thermalization (the thermalization time τ e − e → 0 ) and Born-Oppenheimer (BO) approximation ( τ e − e → ∞ ). The results of the simulation suggest that the non-equilibrium state of the electronic system slows down electron-phonon coupling with respect to the electronic equilibrium case in all studied materials: metals, semiconductors, and insulators. In semiconductors and insulators, it also alters the damage threshold of ultrafast nonthermal phase transitions induced by modification of the interatomic potential due to electronic excitation. It is demonstrated that the models that exclude electron-electron thermalization (using the assumption of τ e − e → ∞ , such as BO or Ehrenfest approximations) may produce qualitatively different results, and a reliable model should include all three effects: electronic nonequilibrium, nonadiabatic electron-ion coupling, and nonthermal evolution of interatomic potential.

Název v anglickém jazyce

Electronic nonequilibrium effect in ultrafast-laser-irradiated solids

Popis výsledku anglicky

This paper describes the effects of electronic nonequilibrium in a simulation of ultrafast laser irradiation of materials. The simulation scheme based on tight-binding molecular dynamics, in which the electronic populations are traced with a combined Monte Carlo and Boltzmann equation, enables the modeling of nonequilibrium, nonthermal, and nonadiabatic (electron-phonon coupling) effects simultaneously. The electron-electron thermalization is described within the relaxation-time approximation, which automatically restores various known limits such as instantaneous thermalization (the thermalization time τ e − e → 0 ) and Born-Oppenheimer (BO) approximation ( τ e − e → ∞ ). The results of the simulation suggest that the non-equilibrium state of the electronic system slows down electron-phonon coupling with respect to the electronic equilibrium case in all studied materials: metals, semiconductors, and insulators. In semiconductors and insulators, it also alters the damage threshold of ultrafast nonthermal phase transitions induced by modification of the interatomic potential due to electronic excitation. It is demonstrated that the models that exclude electron-electron thermalization (using the assumption of τ e − e → ∞ , such as BO or Ehrenfest approximations) may produce qualitatively different results, and a reliable model should include all three effects: electronic nonequilibrium, nonadiabatic electron-ion coupling, and nonthermal evolution of interatomic potential.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10306 - Optics (including laser optics and quantum optics)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Physica Scripta

ISSN

0031-8949

e-ISSN

1402-4896

Svazek periodika

99

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

23

Strana od-do

015934

Kód UT WoS článku

001128694700001

EID výsledku v databázi Scopus

2-s2.0-85180528349