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. We explain why the phonon mode softens at the N point for bcc-structured metals.
@article{arxiv.1901.07164,
title = {Lattice dynamics for isochorically heated metals: A model study},
author = {Shota Ono},
journal= {arXiv preprint arXiv:1901.07164},
year = {2020}
}