Effect of electron-phonon coupling on thermal transport in metals: A Monte Carlo approach for solving the coupled electron-phonon Boltzmann transport equation

• Type: Article in International Scientific Journal
• Date: 2025

Authors

Jie Peng (Author) Other; W. Ryan Deskins (Author) Other; Helena Braga (Author) FEUP; Anter El-Azab (Author) Other

Journal

Title: AIP Advances

Serial No. 025108 Vol. 15

ISSN: 2158-3226

Publisher: American Institute of Physics

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Other information

Authenticus ID: P-018-2S6

DOI: 10.1063/5.0248094

Abstract (EN): In this work, the effect of electron-phonon (e-ph) coupling on both electron and phonon transport of metals is investigated. A Monte-Carlo (MC) approach for solving the coupled electron-phonon Boltzmann transport equation is developed to study the thermal conductivity of alpha-U and Ag. In this approach, the anisotropic electron band structure, phonon dispersion in the full Brillouin zone, and mode-dependent thermal relaxation time of electrons and phonons are calculated from first principles. Using this approach, MC simulations of coupled e-ph thermal transport at different temperatures in alpha-U and Ag are performed. Results indicate the e-ph relaxation time is orders of magnitude smaller than the phonon relaxation time. In phonon thermal transport, the impact of ph-e scattering is almost negligible and the ph-ph scattering dominates phonon transport. At high temperatures, the electrons dominate thermal transport in both alpha-U and Ag. However, at low temperatures, the phonon contribution to the total thermal conductivity of alpha-U is significant. Moreover, the Lorenz ratio deviates from the Sommerfeld value at low to intermediate temperatures, where the Wiedemann-Franz law is not applicable. Finally, we show that the Ag electron thermal conductivity shows a stronger size effect than the phonon thermal conductivity.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 17