Different routes to charge disproportionation in perovskite-type Fe oxides

J. Matsuno, Takashi Mizokawa, A. Fujimori, Y. Takeda, S. Kawasaki, M. Takano

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

Iron perovskites (formula presented) and (formula presented) show charge disproportionation, resulting in charge-ordered states with (formula presented) and (formula presented) respectively. We have made photoemission and unrestricted Hartree-Fock band-structure calculations of (formula presented) and compared it with (formula presented) With decreasing temperature, a gradual decrease of the spectral weight near the Fermi level occurred in (formula presented) as in (formula presented) although lattice distortion occurs only in (formula presented) Hartree-Fock calculations have indicated that both the breathing and tilting distortions are necessary to induce the charge disproportionation in (formula presented) while no lattice distortion is necessary for the charge disproportionation in (formula presented).

Original languageEnglish
Pages (from-to)1-4
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume66
Issue number19
DOIs
Publication statusPublished - 2002 Jan 1
Externally publishedYes

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Perovskite
Oxides
routes
oxides
Photoemission
Fermi level
Band structure
Iron
perovskite
Temperature
perovskites
breathing
photoelectric emission
iron

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Different routes to charge disproportionation in perovskite-type Fe oxides. / Matsuno, J.; Mizokawa, Takashi; Fujimori, A.; Takeda, Y.; Kawasaki, S.; Takano, M.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 66, No. 19, 01.01.2002, p. 1-4.

Research output: Contribution to journalArticle

Matsuno, J. ; Mizokawa, Takashi ; Fujimori, A. ; Takeda, Y. ; Kawasaki, S. ; Takano, M. / Different routes to charge disproportionation in perovskite-type Fe oxides. In: Physical Review B - Condensed Matter and Materials Physics. 2002 ; Vol. 66, No. 19. pp. 1-4.
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