Molecular dynamics simulation was carried out to estimate diffusion constants and mechanism of point defects such as a single vacancy and a self-interstitial atom under hydrostatic pressure. The Stillinger-Weber potential was used-as a model potential, which is widely accepted for modeling of silicon crystals and melts. We obtained the following results on a self-interstitial atom from the calculation. (1) Diffusion constants of self-interstitial are almost independent of pressure in the range from -50 to +50 kbar. (2) A self-interstitial atom diffuses with the formation of dumbbell structure, which is aligned in [1 1 0] direction. For single vacancy, the following clarified. (1) Diffusion constants of vacancy are also independent of pressure in the range from -40 to +40 kbar. (2) A vacancy diffuses with a switching mechanism to the nearest-neighbor atoms in lattice site.
|ジャーナル||Journal of Crystal Growth|
|出版ステータス||出版済み - 3 1 2000|
|イベント||8th International Conference on Defects-Recognition, Imaging and Physics in Semiconductors - Narita, Jpn|
継続期間: 9 15 1999 → 9 18 1999
All Science Journal Classification (ASJC) codes