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

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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

42 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)11-15
Number of pages5
JournalSolid State Communications
Issue number1
Publication statusPublished - 1992 Jul
Externally publishedYes

ASJC Scopus subject areas

  • General Chemistry
  • Condensed Matter Physics
  • Materials Chemistry


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