Structure of hydrogenated silicon clusters. Small clusters |
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| Authors: | V P Meleshko Yu N Morokov V A Shveigert |
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| Institution: | (1) Institute of Theoretical and Applied Mechanics, Siberian Branch, Russian Academy of Sciences, Russia |
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| Abstract: | The ground state structures of silicon hydride clusters SinHm containing up to 12 silicon atoms are obtained by numerical modeling. The cluster geometry is optimized for a wide set of
initial structures using the MINDO/3 approximation for Monte Carlo simulation of interatomic interactions. The energy of the
cluster depending on the content of hydrogen is studied, and it is shown that the Si-H and Si-Si bond energies depend little
on the cluster size. |
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