Electron-phonon coupling in metals at high electronic temperatures

Result code in 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>

Alternative codes found

RIV/68378271:_____/20:00533639

Result on the web

<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>

Result language

angličtina

Original language name

Electron-phonon coupling in metals at high electronic temperatures

Original language description

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.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10305 - Fluids and plasma physics (including surface physics)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2020

Confidentiality

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

Name of the periodical

Physical Review B

ISSN

2469-9950

e-ISSN

—

Volume of the periodical

102

Issue of the periodical within the volume

6

Country of publishing house

US - UNITED STATES

Number of pages

22

Pages from-to

064302

UT code for WoS article

000554825200005

EID of the result in the Scopus database

2-s2.0-85090134978