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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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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 |
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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 |
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