Systematics in the electronic structure of 3d transition-metal compounds

A. E. Bocquet; T. Saitoh; T. Mizokawa; A. Fujimori

doi:10.1016/0038-1098(92)90004-S

Systematics in the electronic structure of 3d transition-metal compounds

A. E. Bocquet, T. Saitoh, T. Mizokawa, A. Fujimori

Research output: Contribution to journal › Article › peer-review

40 Citations (Scopus)

Abstract

We have studied a wide range of 3d transition-metal compounds by a cluster configuration-interaction analysis of the metal 2p core-level photoemission spectra. Deduced values for the charge-transfer energy Δ and the d-d Coulomb repulsion U, defined with respect to the multiplet-averaged energies, show a smooth variation as functions of cation atomic number, ligand and cation valence. Many physical properties, however, show apparently irregular variation, which we attribute to d-d exchange or multiplet effects, which also reflect upon Δ_eff and U_eff defined with respect to the lowest multiplet energies.

Original language	English
Pages (from-to)	11-15
Number of pages	5
Journal	Solid State Communications
Volume	83
Issue number	1
DOIs	https://doi.org/10.1016/0038-1098(92)90004-S
Publication status	Published - 1992 Jul
Externally published	Yes

ASJC Scopus subject areas

Chemistry(all)
Condensed Matter Physics
Materials Chemistry

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AU - Bocquet, A. E.

AU - Saitoh, T.

AU - Mizokawa, T.

AU - Fujimori, A.

PY - 1992/7

Y1 - 1992/7

N2 - We have studied a wide range of 3d transition-metal compounds by a cluster configuration-interaction analysis of the metal 2p core-level photoemission spectra. Deduced values for the charge-transfer energy Δ and the d-d Coulomb repulsion U, defined with respect to the multiplet-averaged energies, show a smooth variation as functions of cation atomic number, ligand and cation valence. Many physical properties, however, show apparently irregular variation, which we attribute to d-d exchange or multiplet effects, which also reflect upon Δeff and Ueff defined with respect to the lowest multiplet energies.

AB - We have studied a wide range of 3d transition-metal compounds by a cluster configuration-interaction analysis of the metal 2p core-level photoemission spectra. Deduced values for the charge-transfer energy Δ and the d-d Coulomb repulsion U, defined with respect to the multiplet-averaged energies, show a smooth variation as functions of cation atomic number, ligand and cation valence. Many physical properties, however, show apparently irregular variation, which we attribute to d-d exchange or multiplet effects, which also reflect upon Δeff and Ueff defined with respect to the lowest multiplet energies.

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Systematics in the electronic structure of 3d transition-metal compounds

Abstract

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