Electron-phonon coupling in metals at high electronic temperatures

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389021%3A_____%2F20%3A00531558" target="_blank" >RIV/61389021:_____/20:00531558 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/20:00533639

Výsledek na webu

<a href="https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.064302#" target="_blank" >https://journals.aps.org/prb/abstract/10.1103/PhysRevB.102.064302#</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevB.102.064302" target="_blank" >10.1103/PhysRevB.102.064302</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Electron-phonon coupling in metals at high electronic temperatures

Popis výsledku v původním jazyce

Even though electron-phonon coupling is one of the most important parameters governing material evolution after ultrafast energy deposition it remains the most unexplored one. In this work we apply the dynamical coupling approach to calculate the nonadiabatic electron-ion energy exchange in nonequilibrium solids with the electronic temperature high above the atomic one. It is implemented into the tight-binding molecular dynamics code and used to study electron-phonon coupling in various elemental metals. The approach developed is a universal scheme applicable to electronic temperatures up to a few electron volts and to arbitrary atomic configurations and dynamics. We demonstrate that the calculated electron-ion (electron-phonon) coupling parameter agrees well with the available experimental data in the high-electronic-temperature regime, validating the model. The following materials are studied here: fcc metals Al, Ca, Ni, Cu, Sr, Y, Zr, Rh, Pd, Ag, Ir, Pt, Au, and Pb, hcp metals Mg, Sc, Ti, Co, Zn, Tc, Ru, Cd, Hf, Re, and Os, bcc metals V, Cr, Fe, Nb, Mo, Ba, Ta, and W, a diamond cubic lattice metal Sn, specific cases of Ga, In, Mn, Te, and Se, and additionally semimetal graphite and the semiconductors Si and Ge. For these materials, we provide an estimation of the electron-phonon coupling at elevated electron temperatures, which can be used in various models simulating ultrafast energy deposition in matter. We also discuss the dependence of the coupling parameter on atomic mass, temperature, and density.

Název v anglickém jazyce

Electron-phonon coupling in metals at high electronic temperatures

Popis výsledku anglicky

Even though electron-phonon coupling is one of the most important parameters governing material evolution after ultrafast energy deposition it remains the most unexplored one. In this work we apply the dynamical coupling approach to calculate the nonadiabatic electron-ion energy exchange in nonequilibrium solids with the electronic temperature high above the atomic one. It is implemented into the tight-binding molecular dynamics code and used to study electron-phonon coupling in various elemental metals. The approach developed is a universal scheme applicable to electronic temperatures up to a few electron volts and to arbitrary atomic configurations and dynamics. We demonstrate that the calculated electron-ion (electron-phonon) coupling parameter agrees well with the available experimental data in the high-electronic-temperature regime, validating the model. The following materials are studied here: fcc metals Al, Ca, Ni, Cu, Sr, Y, Zr, Rh, Pd, Ag, Ir, Pt, Au, and Pb, hcp metals Mg, Sc, Ti, Co, Zn, Tc, Ru, Cd, Hf, Re, and Os, bcc metals V, Cr, Fe, Nb, Mo, Ba, Ta, and W, a diamond cubic lattice metal Sn, specific cases of Ga, In, Mn, Te, and Se, and additionally semimetal graphite and the semiconductors Si and Ge. For these materials, we provide an estimation of the electron-phonon coupling at elevated electron temperatures, which can be used in various models simulating ultrafast energy deposition in matter. We also discuss the dependence of the coupling parameter on atomic mass, temperature, and density.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10305 - Fluids and plasma physics (including surface physics)

Projekt

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

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Physical Review B

ISSN

2469-9950

e-ISSN

—

Svazek periodika

102

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

22

Strana od-do

064302

Kód UT WoS článku

000554825200005

EID výsledku v databázi Scopus

2-s2.0-85090134978