Ta. Arias et Jd. Joannopoulos, AB-INITIO THEORY OF DISLOCATION INTERACTIONS - FROM CLOSE-RANGE SPONTANEOUS ANNIHILATION TO THE LONG-RANGE CONTINUUM-LIMIT, Physical review letters, 73(5), 1994, pp. 680-683
Parallel supercomputer technology now permits ab initio studies of sys
tems of sufficient size to explore the interactions among dislocations
in a solid. This study shows that the silicon shuffle-set (110) screw
dislocation is stable against spontaneous dissociation, provides an a
b initio value for the dislocation core energy, demonstrates a disloca
tion-antidislocation interaction approaching the classical limit withi
n a few tens of angstroms, and reveals a pathway for the spontaneous m
utual annihilation of a dislocation dipole of the type that occurs whe
n a Frank-Read source emits a dislocation loop.