A theoretical investigation was made, of point-defect formation, migration and clustering, by using tight-binding molecular dynamics techniques. First-principles Hartree-Fock calculations were also used to provide a detailed chemical characterization of the Si-Si bond at the split (110) self-interstitial defect.

L.Colombo, M.Tang, T.Diaz de la Rubia, F.Cargnoni: Physica Scripta T, 1996, 66, 207-11