The interaction of vacancies with 30º and 90º partial dislocations was examined. In particular, the structures and binding energies were calculated by using H-terminated clusters and local density-functional theory. The electronic structure was determined by using super-cells which contained dislocation dipoles. The vacancies were found to have binding energies of about 2.0 and 0.9eV; to 90º and 30º partials, respectively. The elastic strain field of the partials caused the 4-fold vacancy to reconstruct, thus essentially clearing the fundamental gap.

Interaction of Vacancies with Partial Dislocations in Silicon. N.Lehto, S.Oberg: Physical Review B, 1997, 56[20], R12706-9