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Author Goto, Kouichi ♦ Munakata, Fumio ♦ Yamanaka, Mitsuga
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CHEMISTRY ♦ STRONTIUM OXIDES ♦ ELECTRONIC STRUCTURE ♦ COBALT OXIDES ♦ MATHEMATICAL MODELS ♦ CRYSTAL DEFECTS ♦ STOICHIOMETRY
Abstract The effects of oxygen defects on the electronic states in the perovskite-type oxide, SrCoO{sub 3-{delta}}, were investigated by the DVX{alpha} molecular orbital method. The oxygen-defect model was constructed on the basis of the brownmillerite-type structure. The authors calculated four kinds of cluster models, corresponding to {delta}=0, 1/6, 1/3, and 1/2. The calculated energy of the O1s state in SrCoO{sub 3-{delta}} splits into two levels with the energy difference of 2 eV, which is consistent with the experimental results in La{sub 1-x}Sr{sub x}CoO{sub 3-{delta}} by X-ray photoelectron spectroscopy.
ISSN 00224596
Educational Use Research
Learning Resource Type Article
Publisher Date 1995-10-01
Publisher Place United States
Journal Journal of Solid State Chemistry
Volume Number 119
Issue Number 1


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