XANES study of the electronic structure of molten germanium

Abstract

Based on measured XANES spectra of crystalline and liquid germanium(c-Ge and l-Ge), multiple scattering (MS) simulation and density of states (DOS) self-consistent calculation using the configurations generated with reverse Monte Carlo (RMC) simulation for l-Ge have been carried out to study the electronic structures near the Fermi level Ef of l-Ge. The strong white line for l-Ge is attributed to the high DOS in the conduction band and partially to the excitonic effect. The DOS of l-Ge is quite high around Ef, as in a metal, while that for c-Ge opens a gap there. Taking the core hole effect into account, the p-like partial DOS of the absorbing atom shows a DOS "piling up".