TY - JOUR
T1 - Electronic Structures of Ti and V Oxides
T2 - Calculation of Valence Photoemission and Bremsstrahlung Isochromat Spectra
AU - Uozumi, Takayuki
AU - Okada, Kozo
PY - 1993
Y1 - 1993
N2 - We have calculated the valence photoemission and bremsstrahlung isochromat spectra for Ti02, Ti203 and V02 by means of an MOg cluster model (M=Ti, V). The result shows that the first ionization state and the lowest affinity state have considerable O 2p character because of the large hopping matrix element between Ti (V) 3 d and O 2/7 orbitals. In particular, it is shown that the character of the energy gap in V02 is charge-transfer type rather than Mott-Hubbard type. electronic structure, energy gap, titanium oxide, vanadium oxide, valence band photoemission, bremsstrahlung isochromat spectra.
AB - We have calculated the valence photoemission and bremsstrahlung isochromat spectra for Ti02, Ti203 and V02 by means of an MOg cluster model (M=Ti, V). The result shows that the first ionization state and the lowest affinity state have considerable O 2p character because of the large hopping matrix element between Ti (V) 3 d and O 2/7 orbitals. In particular, it is shown that the character of the energy gap in V02 is charge-transfer type rather than Mott-Hubbard type. electronic structure, energy gap, titanium oxide, vanadium oxide, valence band photoemission, bremsstrahlung isochromat spectra.
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U2 - 10.1143/JPSJ.62.2595
DO - 10.1143/JPSJ.62.2595
M3 - Article
AN - SCOPUS:21344478369
SN - 0031-9015
VL - 62
SP - 2595
EP - 2599
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
IS - 8
ER -