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

A. E. Bocquet, Takashi Mizokawa, K. Morikawa, A. Fujimori, S. R. Barman, K. Maiti, D. D. Sarma, Y. Tokura, M. Onoda

Research output: Contribution to journalArticle

253 Citations (Scopus)

Abstract

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 Δ 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 Δ and U suggest that many early TM compounds should be reclassified as intermediate between the charge-transfer regime and the Mott-Hubbard regime.

Original languageEnglish
Pages (from-to)1161-1170
Number of pages10
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume53
Issue number3
Publication statusPublished - 1996
Externally publishedYes

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Transition metal compounds
Core levels
metal compounds
Photoemission
Oxides
Electronic structure
Transition metals
metal oxides
photoelectric emission
transition metals
electronic structure
Charge transfer
Metals
charge transfer
Energy dissipation
energy dissipation
metals
X rays
Electrons
configuration interaction

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra. / Bocquet, A. E.; Mizokawa, Takashi; Morikawa, K.; Fujimori, A.; Barman, S. R.; Maiti, K.; Sarma, D. D.; Tokura, Y.; Onoda, M.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 53, No. 3, 1996, p. 1161-1170.

Research output: Contribution to journalArticle

Bocquet, AE, Mizokawa, T, Morikawa, K, Fujimori, A, Barman, SR, Maiti, K, Sarma, DD, Tokura, Y & Onoda, M 1996, 'Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra', Physical Review B - Condensed Matter and Materials Physics, vol. 53, no. 3, pp. 1161-1170.
Bocquet, A. E. ; Mizokawa, Takashi ; Morikawa, K. ; Fujimori, A. ; Barman, S. R. ; Maiti, K. ; Sarma, D. D. ; Tokura, Y. ; Onoda, M. / Electronic structure of early 3d-transition-metal oxides by analysis of the 2p core-level photoemission spectra. In: Physical Review B - Condensed Matter and Materials Physics. 1996 ; Vol. 53, No. 3. pp. 1161-1170.
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AU - Fujimori, A.

AU - Barman, S. R.

AU - Maiti, K.

AU - Sarma, D. D.

AU - Tokura, Y.

AU - Onoda, M.

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