Application of one-bond-type migration to interstitialcy-type self-interstitial and phosphorus in silicon

(1) From the standpoint of the potential energy, the one-bond-type migration is divided into the BC (bond-centered type) and SP (split 〈1 0 0〉 type) migrations. In the BC migration, there are two kinds of atom migrations. One is that in which a BC atom pushes its neighboring atom to a BC site. This is the typical migration by the interstitialcy mechanism. The other is that in which a BC atom rotates about its neighboring atom and becomes the BC atom again. This is a feature of the BC migration. (2) The BC and SP migrations are applied to P diffusion in Si. Assuming there is no interaction between P and Si, the distance and probability for each step of the migration are obtained and applied to Si self-diffusion. Because they are not constant, the definition of the correlation factor for the self-diffusion is different from the usual one.