Influence of interaction between neighboring oxygen ions on phase stability in cubic zirconia

Akihide Kuwabara, Junji Katamura, Yuichi Ikuhara, Taketo Sakuma

    Research output: Contribution to journalArticle

    13 Citations (Scopus)

    Abstract

    The electronic structures of undoped c- and t-ZrO 2 were calculated by a first-principles molecular orbital method. A preliminary analysis revealed that experimental energy-loss near-edge structure profiles obtained in ZrO 2-8 mol% Y 2O 3 could be satisfactorily explained from the present theoretical calculation. The calculation suggests that the stability of t-ZrO 2 could be described by the interaction between neighboring oxygen ions rather than the covalency of Zr-O bonds. The effect of dopant cations on the stability of cubic-zirconia solid solutions can be estimated semiquantitatively in terms of the repulsive Coulomb force between neighboring oxygen ions.

    Original languageEnglish
    Pages (from-to)2557-2561
    Number of pages5
    JournalJournal of the American Ceramic Society
    Volume85
    Issue number10
    DOIs
    Publication statusPublished - 2002 Oct 1

    ASJC Scopus subject areas

    • Ceramics and Composites
    • Materials Chemistry

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