Theory of core level X-ray photoemission and photoabsorption in Ti compounds

Abstract

We analyze the Ti2p X-ray photoemission spectroscopy (XPS) and photoabsorption spectroscopy (XAS) spectra in formally tetravalent Ti compounds such as TiO 2, SrTiO 3 and BaTiO 3, by means of a TiO 6 cluster model, paying particular attention to the interplay between the Ti3dO2p hybridization and the intra-atomic multiplet coupling. We also show that the satellite peaks observed in the Ti2p XPS and XAS spectra can be understood as charge transfer satellites, although they have until now been ascribed to the exciton satellite which originates from the excitation from the O2p to O3s states.