Electronic Structures of Ti and V Oxides: Calculation of Valence Photoemission and Bremsstrahlung Isochromat Spectra

Takayuki Uozumi, Kozo Okada

Research output: Contribution to journalArticle

66 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)2595-2599
Number of pages5
Journaljournal of the physical society of japan
Volume62
Issue number8
DOIs
Publication statusPublished - Jan 1 1993
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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