Cargando…

Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals

The rate of energy transfer between electrons and phonons is investigated by a first-principles framework for electron temperatures up to [Formula: see text] = 50,000 K while considering the lattice at ground state. Two typical but differently complex metals are investigated: aluminum and copper. In...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Jia, Qin, Rui, Zhu, Wenjun, Vorberger, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8911575/
https://www.ncbi.nlm.nih.gov/pubmed/35269134
http://dx.doi.org/10.3390/ma15051902
_version_ 1784666849230716928
author Zhang, Jia
Qin, Rui
Zhu, Wenjun
Vorberger, Jan
author_facet Zhang, Jia
Qin, Rui
Zhu, Wenjun
Vorberger, Jan
author_sort Zhang, Jia
collection PubMed
description The rate of energy transfer between electrons and phonons is investigated by a first-principles framework for electron temperatures up to [Formula: see text] = 50,000 K while considering the lattice at ground state. Two typical but differently complex metals are investigated: aluminum and copper. In order to reasonably take the electronic excitation effect into account, we adopt finite temperature density functional theory and linear response to determine the electron temperature-dependent Eliashberg function and electron density of states. Of the three branch-dependent electron–phonon coupling strengths, the longitudinal acoustic mode plays a dominant role in the electron–phonon coupling for aluminum for all temperatures considered here, but for copper it only dominates above an electron temperature of [Formula: see text] = 40,000 K. The second moment of the Eliashberg function and the electron phonon coupling constant at room temperature [Formula: see text] K show good agreement with other results. For increasing electron temperatures, we show the limits of the [Formula: see text] approximation for the Eliashberg function. Our present work provides a rich perspective on the phonon dynamics and this will help to improve insight into the underlying mechanism of energy flow in ultra-fast laser–metal interaction.
format Online
Article
Text
id pubmed-8911575
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher MDPI
record_format MEDLINE/PubMed
spelling pubmed-89115752022-03-11 Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals Zhang, Jia Qin, Rui Zhu, Wenjun Vorberger, Jan Materials (Basel) Article The rate of energy transfer between electrons and phonons is investigated by a first-principles framework for electron temperatures up to [Formula: see text] = 50,000 K while considering the lattice at ground state. Two typical but differently complex metals are investigated: aluminum and copper. In order to reasonably take the electronic excitation effect into account, we adopt finite temperature density functional theory and linear response to determine the electron temperature-dependent Eliashberg function and electron density of states. Of the three branch-dependent electron–phonon coupling strengths, the longitudinal acoustic mode plays a dominant role in the electron–phonon coupling for aluminum for all temperatures considered here, but for copper it only dominates above an electron temperature of [Formula: see text] = 40,000 K. The second moment of the Eliashberg function and the electron phonon coupling constant at room temperature [Formula: see text] K show good agreement with other results. For increasing electron temperatures, we show the limits of the [Formula: see text] approximation for the Eliashberg function. Our present work provides a rich perspective on the phonon dynamics and this will help to improve insight into the underlying mechanism of energy flow in ultra-fast laser–metal interaction. MDPI 2022-03-03 /pmc/articles/PMC8911575/ /pubmed/35269134 http://dx.doi.org/10.3390/ma15051902 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Zhang, Jia
Qin, Rui
Zhu, Wenjun
Vorberger, Jan
Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals
title Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals
title_full Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals
title_fullStr Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals
title_full_unstemmed Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals
title_short Energy Relaxation and Electron–Phonon Coupling in Laser-Excited Metals
title_sort energy relaxation and electron–phonon coupling in laser-excited metals
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8911575/
https://www.ncbi.nlm.nih.gov/pubmed/35269134
http://dx.doi.org/10.3390/ma15051902
work_keys_str_mv AT zhangjia energyrelaxationandelectronphononcouplinginlaserexcitedmetals
AT qinrui energyrelaxationandelectronphononcouplinginlaserexcitedmetals
AT zhuwenjun energyrelaxationandelectronphononcouplinginlaserexcitedmetals
AT vorbergerjan energyrelaxationandelectronphononcouplinginlaserexcitedmetals