Spin, charge, and orbital ordering in Mn perovskite oxides studied by model Hartree-Fock calculations

T. Mizokawa, A. Fujimori

Research output: Contribution to journalArticle

123 Citations (Scopus)

Abstract

The spin, charge, and orbital ordering in (Formula presented)MnO(Formula presented) and (Formula presented)MnO(Formula presented)=rare earth, (Formula presented)=Sr, Ca) has been studied by means of unrestricted Hartree-Fock calculations on the multiband (Formula presented) model. Since the superexchange interaction between the Mn(Formula presented) and Mn(Formula presented) sites depends on which type of (Formula presented) orbital is occupied at the Mn(Formula presented) site, antiferromagnetic states such as (Formula presented) type and (Formula presented) type favor a specific orbital ordering. It is shown that the Jahn-Teller distortion consistent with the orbital ordering plays an essential role in stabilizing the experimentally observed antiferromagnetic states.

Original languageEnglish
Pages (from-to)R493-R496
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume56
Issue number2
DOIs
Publication statusPublished - 1997 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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