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A Comparative Study Of Empirical Potential Energy Functions: Applications To Silicon Microclusters

Author

Listed:
  • 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)

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.

Suggested Citation

  • Şakir Erkoç & Kunio Takahashi, 2004. "A Comparative Study Of Empirical Potential Energy Functions: Applications To Silicon Microclusters," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 15(03), pages 403-408.
    • Handle: RePEc:wsi:ijmpcx:v:15:y:2004:i:03:n:s0129183104005814
    DOI: 10.1142/S0129183104005814
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