Molecular dynamics analysis of point defects in silicon near solid–liquid interface

Molecular dynamics simulation was carried out to clarify pressure effects on diffusion constants of point defects such as a vacancy and an interstitial atom under constant pressure by using Stillinger–Weber potential. The calculated results indicate that the pressure effect on diffusion of the point defects is small during single crystal growth of silicon, since stress, which was obtained by a global heat and mass transfer model is not enough to modify migration process of the point defects. Activation energy of a vacancy and an interstitial atom was obtained as a function of external pressure. q2000 Elsevier Science B.V. All rights reserved