Systematic variation of the electronic structure of 3d transition-metal compounds

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

Research output: Contribution to journalArticle

87 Citations (Scopus)

Abstract

We have studied the systematic changes of the electronic structure in 3d transition-metal oxides and sulfides within a configuration-interaction cluster model including multiplet effects. Parameters of the model have been deduced from analyses of the 2p core-level photoemission spectra of these compounds. We have calculated the magnitudes of the band gaps, the net d-electron numbers, and the character of doped carriers (and hence of band gaps) within the cluster model. The variation of the calculated magnitudes of the band gaps is in good agreement with experiment, especially with those derived in a recent optical study by Arima et al. of the LaMO3 series, where M denotes a transition-metal element.

Original languageEnglish
Pages (from-to)7934-7938
Number of pages5
JournalPhysical Review B
Volume52
Issue number11
DOIs
Publication statusPublished - 1995 Jan 1

    Fingerprint

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this