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.

Stefanucci, G., Perfetto, E. (2025). Exact formula with two dynamically screened electron-phonon couplings for positive phonon-linewidths approximations. PHYSICAL REVIEW. B, 111(2) [10.1103/PhysRevB.111.024307].

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

Gianluca Stefanucci;Enrico Perfetto
2025-01-01

Abstract

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.
2025
Pubblicato
Rilevanza internazionale
Articolo
Sì, ma tipo non specificato
Settore FIS/03
Settore PHYS-04/A - Fisica teorica della materia, modelli, metodi matematici e applicazioni
English
Con Impact Factor ISI
Stefanucci, G., Perfetto, E. (2025). Exact formula with two dynamically screened electron-phonon couplings for positive phonon-linewidths approximations. PHYSICAL REVIEW. B, 111(2) [10.1103/PhysRevB.111.024307].
Stefanucci, G; Perfetto, E
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2108/460244
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