Abstract
A previously developed procedure for modeling the electronic structure of oxide systems, using a quantum-chemical calculation in the Xα-scattered wave approximation, has been applied to the investigation of cobaltous-cobaltic oxide Co3O4. As a model of octahedral and tetrahedral sublattices of the oxide we took CoO69− and CoO46−, respectively. An energy scheme has been constructed for Co3O4, and a quantitative interpretation has been given for the photoelectron and x-ray electronic spectra of the valence band, optical excitation spectra, and satellite shake-up lines.
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