このエントリーをはてなブックマークに追加
ID 15358
Eprint ID
15358
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
鶴田 健二 Department of Electrical and Electronic Engineering
東辻 浩夫 Department of Electrical and Electronic Engineering
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.
発行日
2001-03-27
出版物タイトル
Memoirs of the Faculty of Engineering, Okayama University
出版物タイトル(別表記)
岡山大学工学部紀要
35巻
1-2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
63
終了ページ
75
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