Electronic structure of FeCr2S4 and Fe0.5Cu0.5Cr2S4

A full study of the electronic structures of FeCr2S4 and Fe0.5Cu0.5Cr2S4 is reported based on x-ray photoelectron spectra (valence band and core level s), x-ray emission spectra (Fe L alpha, Cu L alpha, Cr L alpha, S K beta(1. 3) and S L-2.3) and ab initio TB-LMTO band structure calculations. In the v alence band of FeCr2S4, the Fe 3d states are found to be more localized tha n the Cr 3d states, which dominate at the Fermi level. In Fe0.5Cu0.5Cr2S4, the distribution of Cr 3d (Cr3+) states is unchanged and the Cu ions were f ound to be in the Cu+ state.