First principles calculation of vacancy formation energies in S13 grain boundary of a-Al<SUB>2</SUB>O<SUB>3</SUB>

Preprints of Annual Meeting of The Ceramic Society of Japan
Preprints of Fall Meeting of The Ceramic Society of Japan

Annual Meeting of The Ceramic Society of Japan, 2009

Session ID : 1L34

DOI https://doi.org/10.14853/pcersj.2009S.0.152.0

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Host: The Ceramic Society of Japan

First principles calculation of vacancy formation energies in S13 grain boundary of a-Al₂O₃

*Nobuaki Takahashi, Teruyasu Mizoguchi, Tetsuya Tohei, Kaoru Nakamura, Naoya Shibata, Takahisa Yamamoto, Yuichi Ikuhara

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Keywords: a-alumina, grain boundary, intrinsic defect energetics, first principles calculation

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[in Japanese]

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© The Ceramic Society of Japan 2009

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