Work

Lattice dynamics for isochorically heated metals: A model study

Year: 2019
Type: article
Abstract: The electron-excitation induced bond strength variations in metals have been predicted from density-functional theory calculations and observed experimentally, while the microscopic mechanism has yet to be elucidated. Here, we present a minimal model that reproduces the phonon hardening and softening for fcc- and bcc-structured metals as a result of the electron thermal excitation. For the cases of bcc-structured metals, a delicate balance between the first and second nearest neighbor force constants leads to a phonon softening at the N point.
Author: Shota Ono
Institution: Gifu University
Language: English
Open Access status: bronze
OpenAlex ID: W2913330478
FWCI: 1.118
Cites: 24
Cited by: 11
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