N. Lehto et S. Oberg, INTERACTION OF VACANCIES WITH PARTIAL DISLOCATIONS IN SILICON, Physical review. B, Condensed matter, 56(20), 1997, pp. 12706-12709
The interaction of vacancies with 30 degrees and 90 degrees partial di
slocations in silicon is examined. In particular, the structures and b
inding energies are calculated using hydrogen-terminated clusters and
local density-functional theory. Moreover the electronic structure is
determined using supercells containing dislocation dipoles. Vacancies
are found to have binding energies of approximately 2.0 eV and 0.9 eV
to 90 degrees and 30 degrees partials, respectively. The elastic strai
n field of the partials makes the fourfold vacancy reconstruct, which
essentially clears the fundamental gap.