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Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra

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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Official URL: http://prb.aps.org/abstract/PRB/v53/i3/p1161_1


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
Publication: Physical Review B: Condensed Matter
Publisher: The american physical society
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
URI: http://eprints.iisc.ac.in/id/eprint/37140

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