| ID | 14058 |
| JaLCDOI | |
| Sort Key | 5
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| 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
ORCID
Kaken ID
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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
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| 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.
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| 出版物タイトル |
Memoirs of the Faculty of Engineering, Okayama University
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| 発行日 | 2008-01
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| 巻 | 42巻
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| 号 | 1号
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| 出版者 | Faculty of Engineering, Okayama University
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| 出版者（別表記） | 岡山大学工学部
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| 開始ページ | 44
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| 終了ページ | 47
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| ISSN | 0475-0071
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| NCID | AA10699856
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| 資料タイプ |
紀要論文
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| OAI-PMH Set |
岡山大学
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| 言語 |
英語
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| 論文のバージョン | publisher
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| NAID | |
| Eprints Journal Name | mfe
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