Zr segregation and associated al vacancies in alumina grain boundaries

James P. Buban, Teruyasu Mizoguchi, Naoya Shibata, Eiji Abe, Takahisa Yamamoto, Yuichi Ikuhara

    研究成果: Article査読

    7 被引用数 (Scopus)

    抄録

    Segregated dopants at grain boundary dramatically change the material's mechanical and electrical properties. The knowledge of the behavior of these dopants are therefore key for further material developments. Here, a Zr doped alumina (Al2O3) bicrystal was fabricated and the atomic structure of the grain boundary was characterized using scanning transmission electron microscopy (STEM). Zr was found to segregate to specific sites along the grain boundary, which was neighbored by Al columns of weak image intensity. First principles calculations and static lattice calculations revealed that the charge compensating Al vacancies are most stable in Al columns neighboring the location of the Zr sites. Multi-slice simulations of STEM images confirmed that Al columns containing vacancies exhibit a reduction in image intensity. These results indicate that associated Al vacancies strongly influence its atomic site segregation behavior of Zr.

    本文言語English
    ページ(範囲)840-844
    ページ数5
    ジャーナルJournal of the Ceramic Society of Japan
    119
    1395
    DOI
    出版ステータスPublished - 2011 11

    ASJC Scopus subject areas

    • Ceramics and Composites
    • Chemistry(all)
    • Condensed Matter Physics
    • Materials Chemistry

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