Hybridization and bond-orbital components in site-specific X-ray photoelectron spectra of rutile TiO2

Autor: J C, Woicik, E J, Nelson, Leeor, Kronik, Manish, Jain, James R, Chelikowsky, D, Heskett, L E, Berman, G S, Herman
Rok vydání: 2001
Zdroj: Physical review letters. 89(7)
ISSN: 0031-9007
Popis: We have determined the Ti and O components of the rutile TiO2 valence band using the method of site-specific x-ray photoelectron spectroscopy. Comparisons with calculations based on pseudopotentials within the local density approximation reveal the hybridization of the Ti 3d, 4s, and 4p states, and the O 2s and 2p states on each site. These chemical effects are observed due to the large differences between the angular-momentum dependent matrix elements of the photoelectron process.
Databáze: OpenAIRE