First-principles calculations were presented for the vacancy-mediated diffusion of Si. It was shown that a DX-like mechanism facilitated the migration of lattice-site atoms into the interstitial region, and that the dangling bonds of a second-nearest neighbor vacancy assisted migration through the interstitial region. Due to these 2 mechanisms, vacancy-assisted diffusion of Si occurred with a low-energy barrier.

J.Dabrowski, J.E.Northrup: Physical Review B, 1994, 49[20], 14286-9