Electronic Structure of Liquid Metals from Nonlocal Energy-Dependent Model Potentials

Abstract

Calculations of the density of electronic states and related quantities are reported for liquid Bi, In, and Hg. The nonlocal nature of the pseudopotentials is fully taken into account, and their energy dependence is approximated by an effective mass so that the Green function method is applicable. The density of states of Bi is found to be smoother than in a previously published calculation which used a local pseudopotential. The density of states of In is found to be nearly free-electron-like, indicating that an explanation of the photoemission spectrum must be sought elsewhere. A modest dip in the density of states of Hg is found, but it is much smaller than that conjectured by Mott.