Structural Relaxation of Amorphous Silicon-Germanium Alloys: Molecular-Dynamics Study
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概要
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Thermally-induced structural relaxation of amorphous silicon-germanium ($a$-Si1-xGex) alloys has been examined using molecular-dynamics (MD) simulations with the Tersoff interatomic potential. The $a$-Si1-xGex networks were successfully observed in the present MD simulations. Major changes in the topological short-range order upon annealing occurred within the second coordination shell, while the chemical short-range order was not altered. It was found that the decrease in potential energy associated with the change in the standard deviation of bond angles becomes large as the Ge composition increases. This result was consistent with the heat release due to structural relaxation, which was observed experimentally. We also examined differences in the phonon densities of states between the as-quenched and annealed $a$-Si1-xGex alloys.
- 2004-12-15
著者
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Yamaguchi Mitsuhiro
Department Of Hematology And Oncology Osaka University School
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Ishimaru Manabu
The Institute Of Scientific And Industrial Research Osaka University
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Hirotsu Yoshihiko
The Institute Of Science And Industrial Research Osaka University
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Hirotsu Yoshihiko
The Institute of Scientific and Industrial Research, Osaka University, Osaka 567-0047, Japan
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Ishimaru Manabu
The Institute of Scientific and Industrial Research, Osaka University, Osaka 567-0047, Japan
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Yamaguchi Mitsuhiro
Department of Materials Science and Engineering, Osaka University, Osaka 565-0871, Japan
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