Molecular dynamics studies on vacancy-interstitial annihilation in silicon

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 300 K and 1400 K respectively. We have found that less than or equal 111> is the preferred recombination direction and propose the presence of an energy barrier in the less than or equal 110> direction. From the calculated value of energy barrier along less than or equal 110> we give a reasonable explanation for the difference between Tang's and Zawadzki's data.