X-ray photoemission study of NiS_{2-x}Se_x (x = 0.0 - 1.2)

Abstract

Electronic structure of NiS_{2-x}Se_x system has been investigated for various compositions (x) using x-ray photoemission spectroscopy. An analysis of the core level as well as the valence band spectra of NiS_2 in conjunction with many-body cluster calculations provides a quantitative description of the electronic structure of this compound. With increasing Se content, the on-site Coulomb correlation strength (U) does not change, while the band width W of the system increases, driving the system from a covalent insulating state to a pd-metallic state.Comment: 19 pages, 6 figures, To appear in Phys. Rev. B, 200