Atomic modelling of homogeneous nucleation of dislocations from condensation of point defects in silicon

Abstract

Abstract An energetically favourable atomic modelling scheme for homogeneous nucleation of dislocations in silicon by condensation of point defects is described. For extrinsic dislocation dipoles, a chain of interstitial atoms is used to form intermediate defect configurations having non-six-membered atomic rings with matrix atoms. For intrinsic dislocation dipoles, a chain of matrix atoms is cut out and the remaining atoms surrounding the cut are used to form intermediate defect configurations having non-six-membered atomic rings. Climb and glide motions of the intermediate defect configurations then produce the 90° edge, the 60° and the Frank partial dislocation dipoles. The intermediate defect configurations and the dislocation dipoles generated have {110} rod-like morphologies. A model with all four-coordinated interstitial atoms for {113} stacking fault is also obtained.