A COMPARATIVE STUDY OF EMPIRICAL POTENTIAL ENERGY FUNCTIONS: APPLICATIONS TO SILICON MICROCLUSTERS

Şakir Erkoç () and Kunio Takahashi
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Şakir Erkoç: Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
Kunio Takahashi: Department of International Development Engineering, Tokyo Institute of Technology, 152-8552 Tokyo, Japan

International Journal of Modern Physics C (IJMPC), 2004, vol. 15, issue 03, 403-408

Abstract: A comparative study has been performed for silicon microclusters,Si3andSi4, considering fifteen different empirical potential energy functions. It has been found that only two of the empirical potential energy functions give linear structure more stable forSi3, the remaining potential functions give triangular structure as more stable. In the case ofSi4microclusters eight potential functions give open tetrahedral structure as more stable, two functions give perfect tetrahedral as more stable, three functions give square structure as more stable, and two functions give linear structure as more stable.

Keywords: Silicon microclusters; empirical potential energy functions (search for similar items in EconPapers)
Date: 2004
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DOI: 10.1142/S0129183104005814

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