Abstract
We calculate the Ti 3p and 3s core-level X-ray photoemission spectra (XPS) of tetravalent Ti compounds, such as TiO2 and SrTiO3. Because of the strong hybridization between the Ti 3d and O 2p orbitals, a small number of states split off in the final state of photoemission, giving the narrow main peak in the Ti 3p and 3s-XPS as well as 2p-XPS. In the case of the Ti 3s-XPS, the satellite structure due to the intra-atomic configuration interaction is fairly intense, though it is much broadened by the hybridization. We also discuss the close relationship of the final state structures between the valence band photoemission of the trivalent Ti compounds and the core-level pho-temission of the tetravalent Ti compounds.
| Original language | English |
|---|---|
| Pages (from-to) | 3176-3184 |
| Number of pages | 9 |
| Journal | journal of the physical society of japan |
| Volume | 63 |
| Issue number | 8 |
| DOIs | |
| Publication status | Published - Jan 1 1994 |
| Externally published | Yes |
Keywords
- 2p
- 3s
- SrTiO3
- Ti 3p
- TiO2
- charge transfer
- cluster model
- configuration interaction
- core level photoemission
- hybridization
- multiplet
- split-off state
- transition metal
ASJC Scopus subject areas
- Physics and Astronomy(all)