Nature of Non-Adiabatic Electron-Ion Forces in Liquid Metals
Abstract
An accurate description of electron-ion interactions in materials is crucial for our understanding of their equilibrium and non-equilibrium properties. Here, we assess the properties of frictional forces experienced by ions in non-crystalline metallic systems, including liquid metals and warm dense plasmas, that arise from electronic excitations driven by the nuclear motion due to the presence of a continuum of low-lying electronic states. To this end, we perform detailed ab-initio calculations of the full friction tensor that characterizes the set of friction forces. The nonadiabatic electron-ion interactions introduce hydrodynamic couplings between the ionic degrees of freedom, which are sizeable between nearest neigbors. The friction tensor is generally inhomogeneous, anisotropic and non-diagonal, especially at lower densities.
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Cite
@article{arxiv.2007.06747,
title = {Nature of Non-Adiabatic Electron-Ion Forces in Liquid Metals},
author = {Jacopo Simoni and Jerome Daligault},
journal= {arXiv preprint arXiv:2007.06747},
year = {2020}
}