Exact formula with two dynamically screened electron-phonon couplings for positive phonon-linewidths approximations

Fuente: arXiv
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Hauptverfasser: Stefanucci, Gianluca, Perfetto, Enrico
Format: Preprint
Veröffentlicht: 2024
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author Stefanucci, Gianluca
Perfetto, Enrico
author_facet Stefanucci, Gianluca
Perfetto, Enrico
contents In this paper, we present an exact formula for the phonon linewidths involving only dressed electron-phonon couplings and ensuring the positivity property. The formula is designed to account for both nonadiabatic and correlation effects, and it provides an alternative proof that Density Functional Perturbation Theory calculations of phonon linewidths are not affected by a double counting of screening diagrams. Furthermore, we extend the treatment to nonequilibrium scenarios and offer a rigorous justification for employing the phononic Boltzmann equation.
format Preprint
id arxiv_https___arxiv_org_abs_2407_12285
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Exact formula with two dynamically screened electron-phonon couplings for positive phonon-linewidths approximations
Stefanucci, Gianluca
Perfetto, Enrico
Materials Science
Superconductivity
In this paper, we present an exact formula for the phonon linewidths involving only dressed electron-phonon couplings and ensuring the positivity property. The formula is designed to account for both nonadiabatic and correlation effects, and it provides an alternative proof that Density Functional Perturbation Theory calculations of phonon linewidths are not affected by a double counting of screening diagrams. Furthermore, we extend the treatment to nonequilibrium scenarios and offer a rigorous justification for employing the phononic Boltzmann equation.
title Exact formula with two dynamically screened electron-phonon couplings for positive phonon-linewidths approximations
topic Materials Science
Superconductivity
url https://arxiv.org/abs/2407.12285