Abstract

We have calculated the valence photoemission and bremsstrahlung isochromat spectra for TiO 2 , Ti 2 O 3 and VO 2 by means of an MO 6 cluster model (M=Ti, V). The result shows that the first ionization state and the lowest affinity state have considerable O 2 p character because of the large hopping matrix element between Ti (V) 3 d and O 2 p orbitals. In particular, it is shown that the character of the energy gap in VO 2 is charge-transfer type rather than Mott-Hubbard type.

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