Molecular dynamics studies on vacancy-interstitial annihilation in silicon
硅晶体中点缺陷结合过程的分子动力学研究

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 alon g <110> we give a reasonable explanation for the difference between Tang's and Z awadzki's data.