Atomic structure and relaxation behavior at AlN (0001 )/Al 2O3 (0001) interface

Yuki Tokumoto, Teruyasu Mizoguchi, Yukio Sato, Naoya Shibata, Takahisa Yamamoto, Yuichi Ikuhara

    Research output: Contribution to journalArticlepeer-review

    3 Citations (Scopus)


    The atomic structure of AIN (0001)/Al2O3 (0001) Interface, which is a model of a large lattice-mismatched film/substrate interface, was investigated by using static lattice calculations. Detailed analysis of the calculated structure revealed that the atomic relaxation behavior strongly depends on local atomic configurations of the interface. Interface distance became larger when Al atoms of AIN side and O atoms of Al2O3 side at the interface are in on-top configurations, while it became smaller when they are not in on-top configurations. The calculated structure qualitatively reproduced the experimental high-resolution transmission electron microscopy (HRTEM) image, which was obtained in our previous study. Such varieties of the atomic relaxation can be concluded to play one of the important roles for the formation of stable hetero-interface structures.

    Original languageEnglish
    Pages (from-to)1018-1021
    Number of pages4
    JournalJournal of the Ceramic Society of Japan
    Issue number1335
    Publication statusPublished - 2006 Nov


    • Aluminum nitride
    • Atomic structure
    • Interface
    • Static lattice calculation

    ASJC Scopus subject areas

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


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