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• W2040983852 abstract "Electronic band structures of the ruthenium and iridium pyrochloresA2M2O6O′1−y(M=Ru, Ir) were examined using the extended Hückel tight-binding method. The metal versus semiconductor behaviors of these pyrochlores are explained in terms of the Mott–Hubbard localization concept. TheM–O,A–O, andA–O′ distances andM–O–Mangles ofA2M2O6O′1−y(M=Ru, Ir) were analyzed in terms of theAcation ionic radius. TheM–O distance and theM–O–Mangle are strongly influenced by the overlap repulsion between the filled shells of theAcation and O2−anions. The O′ vacancies of the pyrochloresA2M2O6O′1−ywith polarizableAcations such as Tl+, Pb2+, or Bi3+occur most likely to reduce the overlap repulsion associated with the 6sorbitals of theAcations." @default.
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• W2040983852 date "1998-03-01" @default.
• W2040983852 modified "2023-09-23" @default.
• W2040983852 title "Similarities and Differences in the Structural and Electronic Properties of Ruthenium and Iridium PyrochloresA2M2O7−(M=Ru, Ir)" @default.
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• W2040983852 doi "https://doi.org/10.1006/jssc.1997.7705" @default.
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