Portal de Periódicos da CAPES

Theory of photoemission spectra for M2O3(M=Ti, V, Cr, Mn, Fe) compounds

1996; Elsevier BV; Volume: 78; Linguagem: Inglês

10.1016/s0368-2048(96)80037-5

1873-2526

Takayuki Uozumi, Kozo Okada, Akio Kotani,

Catalysis and Oxidation Reactions

We have systematically analyzed 2p, 3p and 3s core-level x-ray photoemission spectra (XPS) for a series of transition metal (TM) sesquioxides M2O3(M=Ti, V, Cr, Mn, Fe) by means of an MO6 cluster model. The character of the insulating energy gap is also studied on the basis of the XPS analysis. It is shown that M2O3 from Ti2O3 to Mn2O3 are classified as the intermediate-type insulator between the charge transfer(CT) insulator and the Mott-Hubbard(MH) insulator and Fe2O3 is classified as the CT insulator.