Molecular dynamics (MD) simulation is performed to study the vacancy-interstitial annihilation in crystalline silicon. We choose the Stillinger-Weber potential, which is commonly used for silicon, to describe the interaction between atoms. The system is relaxed under 300K and 1400K respectively. We have found that < 111 > is the preferred recombination direction and propose the presence of an energy barrier in the < 110 > direction. From the calculated value of energy barrier along < 110 > we give a reasonable explanation for the difference between Tang's and Zawadzki's data.
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chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china.;wang, sq (reprint author), chinese acad sci, met res inst, shenyang natl lab mat sci, shenyang 110016, peoples r china;sqwang@imr.ac.cn
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