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Density-functional-theory-based calculations of formation energy and concentration of the silicon monovacancy
https://doi.org/10.24517/00010836
https://doi.org/10.24517/0001083646564c15-fc8a-4cf5-94a8-194bce27a8f9
名前 / ファイル | ライセンス | アクション |
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SC-PR-SAITO-M-041301.pdf (206.0 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2017-10-03 | |||||
タイトル | ||||||
タイトル | Density-functional-theory-based calculations of formation energy and concentration of the silicon monovacancy | |||||
言語 | ||||||
言語 | eng | |||||
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 | journal article | |||||
ID登録 | ||||||
ID登録 | 10.24517/00010836 | |||||
ID登録タイプ | JaLC | |||||
著者 |
Sholihun, S.
× Sholihun, S.× Saito, Mineo× Ohno, Takahisa× Yamasaki, Takahiro |
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著者別表示 |
斎藤, 峯雄
× 斎藤, 峯雄 |
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提供者所属 | ||||||
内容記述タイプ | Other | |||||
内容記述 | 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系 | |||||
書誌情報 |
Japanese Journal of Applied Physics 巻 54, 号 4, p. 041301, 発行日 2015-08-01 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0021-4922 | |||||
NCID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA00690800 | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | 10.7567/JJAP.54.041301 | |||||
出版者 | ||||||
出版者 | Japan Society of Applied Physics = 応用物理学会 | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | By using first-principles calculations, we study the formation energy and concentration of the silicon monovacancy. We use large-scale supercells containing up to 1728 atomic sites and confirm the convergence of calculational results with respect to the cell size. The formation energy is calculated to be 3.46 eV, and the vacancy concentration at the silicon melting point is estimated to be 7.4 × 1016cm-3. These values are consistent with experimental results. We find that the vibrational effect significantly increases the vacancy concentration about 104 times. © 2015 The Japan Society of Applied Physics. | |||||
内容記述 | ||||||
内容記述タイプ | Other | |||||
内容記述 | Embargo Period 12 months | |||||
権利 | ||||||
権利情報 | © 2015 The Japan Society of Applied Physics | |||||
著者版フラグ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
関連URI | ||||||
識別子タイプ | URI | |||||
関連識別子 | https://www.jsap.or.jp/ |