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.
| 元の言語 | English |
|---|---|
| 記事番号 | 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 |
| 巻 | 66 |
| 発行部数 | 19 |
| 出版物ステータス | Published - 2002 11 15 |
| 外部発表 | Yes |
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ASJC Scopus subject areas
- Condensed Matter Physics
これを引用
Different routes to charge disproportionation in perovskite-type Fe oxides. / Matsuno, J.; Mizokawa, Takashi; Fujimori, A.; Takeda, Y.; Kawasaki, S.; Takano, M.
：: Physical Review B - Condensed Matter and Materials Physics, 巻 66, 番号 19, 193103, 15.11.2002, p. 1931031-1931034.研究成果: Article
}
TY - JOUR
T1 - Different routes to charge disproportionation in perovskite-type Fe oxides
AU - Matsuno, J.
AU - Mizokawa, Takashi
AU - Fujimori, A.
AU - Takeda, Y.
AU - Kawasaki, S.
AU - Takano, M.
PY - 2002/11/15
Y1 - 2002/11/15
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0037113652&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0037113652&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:0037113652
VL - 66
SP - 1931031
EP - 1931034
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 19
M1 - 193103
ER -