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Surface Reconstruction of Si (001) by Genetic Algorithm and Simulated Annealing Method(STM-Si(001))
https://doi.org/10.50974/00043768
https://doi.org/10.50974/0004376841c7e186-4351-4a91-afe1-7e48b45223cc
名前 / ファイル | ライセンス | アクション |
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KJ00004200827.pdf (649.2 kB)
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Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
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公開日 | 2008-05-02 | |||||
タイトル | ||||||
タイトル | Surface Reconstruction of Si (001) by Genetic Algorithm and Simulated Annealing Method(STM-Si(001)) | |||||
言語 | ||||||
言語 | eng | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Genetic Algorithm | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | simulated annealing | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | surface reconstruction | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | departmental bulletin paper | |||||
ID登録 | ||||||
ID登録 | 10.50974/00043768 | |||||
ID登録タイプ | JaLC | |||||
著者 |
Fu, Rong-Tang
× Fu, Rong-Tang× Esfarjani, Keivan× Hashi, Yuichi× Wu, Jian× Sun, Xun× Kawazoe, Yoshiyuki |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The Genetic Algorithm (GA) is one of the most recently developed techniques to find the "Global" minimum of an energy functional. This technique combined with conjugated gradient or molecular dynamics has been demonstrated to be efficient for the ground-state configuration search in materials research, e.g. fullerene formation. In this paper, based on the generalized tight-binding molecular dynamics, we apply the GA to study the surface reconstruction of Silicon (001) for the first time. Up to 65 generations, the "Global" minimum or the ground-state configuration for the surface reconstruction of Si (001) was detected efficiently in our GA simulation. In our tight-binding model, a perfect symmetry-dimer structure was found to be the most energetic while some defect asymmetry-dimer structure could coexist in the lists of candidate structures due to the thermal defect or charge transfer which was described with the smearing parameter empirically. We also perform the more traditional Simulated Annealing (SA) technique to deal with the same problem. The results in terms of efficiency, accuracy of the ground-state reconstructed surface and CPU time are compared. | |||||
書誌情報 |
Science reports of the Research Institutes, Tohoku University. Ser. A, Physics, chemistry and metallurgy 巻 44, 号 1, p. 77-81, 発行日 1997-03-28 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 00408808 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA00836167 | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||
出版者 | ||||||
出版者 | Tohoku University | |||||
資源タイプ | ||||||
内容記述タイプ | Other | |||||
内容記述 | 紀要類(bulletin) | |||||
登録日 | ||||||
日付 | 2008-05-02 | |||||
日付タイプ | Created | |||||
公開日(投稿完了日) | ||||||
日付 | 2008-05-02 | |||||
日付タイプ | Created | |||||
発行日 | ||||||
日付 | 1997-03-28 | |||||
日付タイプ | Created | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | 649212 bytes | |||||
公開範囲 | ||||||
値 | 学外 | |||||
更新日 | ||||||
日付 | 2010-01-27 | |||||
日付タイプ | Created |