Self-interstitial atom diffusion and implantation-induced damage were studied. The diffusion coefficient of interstitial silicon was calculated by using methods based upon the Stillinger-Weber potential. A comparison was made between calculations based upon the Einstein relationship and methods based upon a hopping analysis. For interstitial silicon diffusion, atomic site exchanges to the lattice atoms occurred. Thus the total displacement-based calculation underestimated the ideal value of the diffusivity of the interstitial silicon. The migration pathway and barrier energy in the case of the Stillinger-Weber potential were also identified. By studying molecular dynamics calculations of the arsenic ion implantation process, it was found that damage self-recovery depended upon the extent of damage. Damage caused by a single large impact disappeared easily. Damage left significant defects when two large impacts in succession cause an overlapped damage region.

Molecular Dynamics Calculation Studies of Interstitial-Si Diffusion and Arsenic Ion Implantation Damage. Hane, M., Ikezawatt, T., Furukawat, A.: IEICE Transactions on Electronics, 2000, E83-C[8], 1247-52

Table 28

Migration parameters for various clusters