Overscreening-free electron-phonon interaction in realistic materials
Abstract
State-of-the-art model Hamiltonians, like Fr\"ohlich's, or density functional theory approaches to electron-phonon interaction suffer from a severe overscreening error. This is due to the incorrect treatment of the screening of the ionic potential. We derive a correct formulation of the electron-phonon interaction and demonstrate its validity by numerically implementing the new scheme in a paradigmatic material: MgB, a system whose double-gap, low- superconductivity depends on exceptionally high phonon linewidths. We find that the present treatment enhances the linewidths by with respect to what has been previously reported for the anomalous mode. We further discover that the mode is also anomalous (its strong coupling being completely quenched by the overscreened expression). Our results deeply question methods based on state-of-the-art approaches and impact a wide range of fields such as thermal conductivity, phononic instabilities and non-equilibrium lattice dynamics.
Cite
@article{arxiv.2105.09823,
title = {Overscreening-free electron-phonon interaction in realistic materials},
author = {Fulvio Paleari and Andrea Marini},
journal= {arXiv preprint arXiv:2105.09823},
year = {2023}
}
Comments
The present manuscript has been superseded by: arXiv:2211.02573. Author list has changed, and also the material and discussion presented