Reproduction of quantum tight-binding effects in silicon clusters by a four-body classical model
A D Mistriotis; A D Zdetsis; G E Froudakis; M Menon; A D Mistriotis; Inst. of Electronic Structure & Laser, Found. for Res. and Technol. Hellas, Crete, Greece; A D Zdetsis; Inst. of Electronic Structure & Laser, Found. for Res. and Technol. Hellas, Crete, Greece; G E Froudakis; Inst. of Electronic Structure & Laser, Found. for Res. and Technol. Hellas, Crete, Greece; M Menon; Inst. of Electronic Structure & Laser, Found. for Res. and Technol. Hellas, Crete, Greece
Журнал:
Journal of Physics: Condensed Matter
Дата:
1993-08-23
Аннотация:
The results obtained by a recently proposed empirical potential for silicon which includes four-body terms are compared with the results of quantum-mechanical tight-binding calculations. In particular, the ground-state energy and structure of the Si<sub>33</sub> cluster were computed by both methods. By performing an equivalent calculation using only up to three-body interactions the authors demonstrate that the four-body term is absolutely necessary in order to achieve good agreement with the quantum method.
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