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ID 14058
Eprint ID
14058
フルテキストURL
著者
Ogawa Takafumi Department of Electrical and Electronic Engineering Okayama University
鶴田 健二 Department of Electrical and Electronic Engineering Okayama University
東辻 千枝子 Department of Electrical and Electronic Engineering Okayama University
東辻 浩夫 Department of Electrical and Electronic Engineering Okayama University
Hiroshi Iyetomi Department of Physics Niigata University
抄録
To analyze vibrational properties of Si crystal with a single charge-neutral vacancy, we perform large-scale simulations based on tight-binding molecular-dynamics method. Vibrational modes and frequencies are obtained by diagonalizing dynamical matrix within a harmonic approximation. Results indicate that there exist vibrational modes spatially localized around the vacancy and large frequency shifts associated with the localized modes contribute significantly to reduction of the vibrational free energy.
発行日
2008-01
出版物タイトル
Memoirs of the Faculty of Engineering, Okayama University
42巻
1号
出版者
Faculty of Engineering, Okayama University
出版者(別表記)
岡山大学工学部
開始ページ
44
終了ページ
47
ISSN
0475-0071
NCID
AA10699856
資料タイプ
紀要論文
言語
English
論文のバージョン
publisher
査読
無し
Eprints Journal Name
mfe