Systematic Aspects of The Electronic Structure of 3d Transition-Metal Compounds

Atsushi Fujimori, Tomohiko Saitoh, Takashi Mizokawa, Antoine E. Bocquet*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


Systematic changes in the electronic structure of 3d transition-metal compounds with varying chemical compositions are studied by photoemission spectroscopy and configuration-interaction cluster-model analysis. The changes consist of(I) the smooth variation of model parameters such as the charge-transfer energy Δ and the d-d Coulomb repulsion energyU with atomic number and valence and (II) the apparently irregular multiplet corrections to Δ and U, which are functionsof the nominal electron number. These systematics are reflected upon the band gaps, covalency and character of dopedcarriers in transition-metal oxides and chalcogenides, and upon the optical absorption spectra and the ionization energies of substitutional transition-metal impurities in semiconductors.

Original languageEnglish
Pages (from-to)217-220
Number of pages4
JournalJapanese journal of applied physics
Issue numberS3
Publication statusPublished - 1993 Jan
Externally publishedYes


  • Anderson model
  • Band gaps
  • Cluster model
  • Configuration interaction
  • Covalency transition-metal impurities
  • Transition-metal compounds

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)


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