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

• Published in: Journal of electron spectroscopy and related phenomena Vol. 62; no. 1; pp. 131 - 140
• Main Authors: Okada, Kozo, Kotani, Akio
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.03.1993; Elsevier
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Exact sciences and technology; Optical properties and condensed-matter spectroscopy and other interactions of matter with particles and radiation; Other interactions of matter with particles and radiation; Physics; Transition metal Compounds; Satellite line; Theoretical study; X ray; Hybridization; Coulomb interaction; Titanium Compounds; Inorganic compound; Photoelectron emission; Charge transfer; Level splitting; X ray absorption; Core level
• ISSN: 0368-2048; 1873-2526
• DOI: 10.1016/0368-2048(93)80010-J

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.