Nature of Non-Adiabatic Electron-Ion Forces in Liquid Metals

An accurate description of electron-ion interactions in materials is crucial for our understanding of their equilibrium and nonequilibrium properties. Here we assess the properties of frictional forces experienced by ions in noncrystalline 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 non-adiabatic electron-ion interactions introduce hydrodynamic couplings between the ionic degrees of freedom, which are sizable between nearest neighbors. The friction tensor is generally inhomogeneous, anisotropic, and nondiagonal, especially at lower densities.