Electronic structure of intercalated metal disulfides (Ag1/3TiS2 and Fe1/3TiS2) studied by XPS and theoretical calculations

International audienceThe effect of metal intercalation (silver and iron) into 1T-CdI2-type TiS2 layered crystals, expressed as MxTiS2, has been studied by X-ray photoelectron spectroscopy (XPS) and self-consistent electronic calculations (augmented sphere wave method). The spectra are found to depend strongly on the guest metals, and we have shown how the XPS valence bands are modified by the 'host-guest' interactions by using calculated densities of states. In the first approximation, the chemical shift of the core peaks are correlated with Mulliken population analysis