Different routes to charge disproportionation in perovskite-type Fe oxides

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

*この研究の対応する著者

研究成果: Article査読

60 被引用数 (Scopus)

抄録

Iron perovskites CaFeO3 and La0.33Sr0.67FeO3 show charge disproportionation, resulting in charge-ordered states with Fe3+:Fe5+ = 1: 1 and =2: 1, respectively. We have made photoemission and unrestricted Hartree-Fock band-structure calculations of CaFeO3 and compared it with La0.33Sr0.67FeO3. With decreasing temperature, a gradual decrease of the spectral weight near the Fermi level occurred in CaFeO3 as in La0.33Sr0.67FeO3 although lattice distortion occurs only in CaFeO3. Hartree-Fock calculations have indicated that both the breathing and tilting distortions are necessary to induce the charge disproportionation in CaFeO3, while no lattice distortion is necessary for the charge disproportionation in La0.33Sr0.67FeO3.

本文言語English
論文番号193103
ページ(範囲)1931031-1931034
ページ数4
ジャーナルPhysical Review B - Condensed Matter and Materials Physics
66
19
出版ステータスPublished - 2002 11 15
外部発表はい

ASJC Scopus subject areas

  • 電子材料、光学材料、および磁性材料
  • 凝縮系物理学

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