Electronic structure of ErS and PrS: Analysis of the sulfur K-edge XANES spectra

Abstract

K-edge XANES spectra of sulfur in ErS and PrS have been measured. A detailed analysis of the electronic structure of ErS and PrS was carried out by the full-scale multiple scattering method, and a good agreement with experimental spectra was obtained. The fine structure of unoccupied sulfur states in the conduction band was determined. The unoccupied d states of praseodymium in PrS are shown to interact with the sulfur p states to expel the sulfur delocalized states from the energy region where the states of the rare-earth elements are localized.