Hybridization and bond-orbital components in site-specific X-ray photoelectron spectra of rutile TiO2.
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.
Woicik
J C
JC
National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA.
Nelson
E J
EJ
Kronik
Leeor
L
Jain
Manish
M
Chelikowsky
James R
JR
Heskett
D
D
Berman
L E
LE
Herman
G S
GS