Bocquet, AE and Mizokawa, T and Morikawa, K and Fujimori, A and Barman, SR and Maiti, K and Sarma, DD and Tokura, Y and Onoda, M (1996) Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra. In: Physical Review B: Condensed Matter, 53 (3). 1161-1170 .
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The electronic structures of a wide range of early transition-metal (TM) compounds, including Ti and V oxides with metal valences ranging from 2+ to 5+ and formal d-electron numbers ranging from 0 to 2, have been investigated by a configuration-interaction cluster model analysis of the core-level metal 2p x-ray photoemission spectra (XPS). Inelastic energy-loss backgrounds calculated from experimentally measured electron-energy-loss spectra (EELS) were subtracted from the XPS spectra to remove extrinsic loss features. Parameter values deduced for the charge-transfer energy Delta and the d-d Coulomb repulsion energy U are shown to continue the systematic trends established previously for the late TM compounds, giving support to a charge-transfer mechanism for the satellite structures. The early TM compounds are characterized by a large metal d-ligand p hybridization energy, resulting in strong covalency in these compounds. Values for Delta and U suggest that many early TM compounds should be reclassified as intermediate between the charge-transfer regime and the Mott-Hubbard regime.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to The american physical society.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||28 Apr 2011 06:20|
|Last Modified:||28 Apr 2011 06:20|
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