ID | 15358 |
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Sort Key | 9
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フルテキストURL | |
著者 |
Shinomiya Shigeru
Graduate School of Natural Science and Technology
東辻 千枝子
Department of Electrical and Electronic Engineering
東辻 浩夫
Department of Electrical and Electronic Engineering
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抄録 | We present a theoretical study of Si(1-x)Ge(x) alloys based on tight-binding molecular dynamics (TBMD) calculations. First, we introduce a new set of nonorthogonal tight-binding parameters for silicon and germanium based on the previous work by Menon and Subbaswamy [Phys. Rev. B 55, 9231 (1997); J. Phys: Condens. Matter 10, 10991 (1998)]. We then apply the method to structural analyses of Si(1-x)Ge(x) alloys. The equilibrium volume and atomic structure for a given x are obtained by the TBMD method. We also calculate the bulk modulus B, elastic constants C(11), C(12) and C(44) as a function of x. The results show that the moduli vary monotonically, but nonlinearly, between the values of Si crystal and Ge crystal. The validity of the results is also discussed.
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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 | 2001-03-27
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巻 | 35巻
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号 | 1-2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 | 63
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終了ページ | 75
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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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