Tight-Binding Molecular Dynamics Study on the Structural Change of Amorphous Germanium with the Increase of Density (Condensed Matter : Structure, Mechanical and Thermal Properties)
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概要
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The structures of low-density and high-density amorphous germanium (a-Ge) are studied, by using the order-N non-orthogonal tight-binding molecular dynamics method, where N is the number of atoms. The initial amorphous configuration is taken from the results of a glass-transition simulation performed in a separate work, with N = 512. From this initial configuration, we gradually increase the density of the system. In low-density a-Ge, the short-range order (SRO) is characterized essentially by the four-fold configuration although, at lowest densities, the coordination number is smaller than four, thus indicating that quite a few dangling bonds exist. The tetrahedral nature of the SRO in a-Ge is in substance the same as the SRO of a diamond structure which is the low-pressure form of crystalline germanium (c-Ge). On the other hand, the SRO in high-density a-Ge is similar to that of a β-Sn structure, the latter being the high-pressure form of c-Ge.
- 社団法人日本物理学会の論文
- 2004-02-15
著者
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Koga Junichiro
Department Of Physics Keio University
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Koga J
Department Of Physics Keio University
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Yamaguchi Tomohiko
Department Of Chemical Systems National Institute Of Materials And Chemical Research (nimc)
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YAMAGUCHI Toshio
Department of Physics, Tokyo Women's Medical University
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YONEZAWA Fumiko
Department of Phsics, Keio University
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Yonezawa F
Department Of Physics Keio University
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NISHIO Kengo
Department of Physics, Keio University
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Tsuyoshi Yamaguchi
Faculty Of Engineering Shizuoka University
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Nishio Kengo
Department Of Physics Keio University
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Yamaguchi Takahide
Department Of Physics Graduate School Of Science The University Of Tokyo
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Yamaguchi Toshihisa
Department Of Applied Physics Chubu Institute Of Technology
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Yonezawa Fumiko
Department Of Applied Physics Tokyo Institute Of Technology
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Yamaguchi Toshio
Department Of Chemistry Faculty Of Science Fukuoka University
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Yamaguchi Toshio
Department of Chemical Engineering, Tokyo University of Agriculture and Technology
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