The effects of dislocation-dislocation interactions upon the elastic energy and the core structure were analyzed by using a new and self-consistent method to apply periodic boundary conditions to unit cells which contained dislocations. Local density functional theory on H-terminated clusters was used to gauge the effects of long-range elastic fields upon the core structure of the 90º partial. It was shown that the single-period and double-period structures of this core were very close in energy, and that the structure which was adopted probably depended upon the environment in which the dislocation was located.

N.Lehto, S.Oberg: Physical Review Letters, 1998, 80[25], 5568-71