A Phase Space Electronic Structure View of The Solid State
Abstract
We develop a phase space electronic structure view of the solid state, where electronic bands are parameterized by both nuclear position and nuclear momentum (rather than the standard practice of only ). Within this phase space, non-Born-Oppenheimer electronic structure context, we prove a nuclear wavevector ()-dependent version of Nafie's equality relating the change in electronic momentum as a function of nuclear momentum, , to the change in electronic position as a function of nuclear position, . Furthermore, we show how information about electron-phonon interactions, specifically nuclear-induced electronic momentum, can be extracted from simple band structure calculations -- without Berry curvature calculations.
Cite
@article{arxiv.2608.06260,
title = {A Phase Space Electronic Structure View of The Solid State},
author = {Nadine Bradbury and Joseph Subotnik},
journal= {arXiv preprint arXiv:2608.06260},
year = {2026}
}
Comments
18 pages, 2 figures, main text and SM