From: Ricardo Nunes <rwnunes@physics.rutgers.edu> Date: Wed, 24 Apr 1996 17:38:11 -0400
Author(s): R. W. Nunes , J. Bennetto , David Vanderbilt (Department of Physics,Astronomy - Rutgers Uni
versity)
Comments: 4 pages in a two column gzipped postscript file (128 K), containing 3 figures and one table. Submitted to Phys. Rev. Lett
Kink defects in the 90-degree partial dislocation in silicon are studied using a linear-scaling density-matrix technique. The asymmetric core reconstruction plays a crucial role, generating at least four distinct kink species as well as soliton defects. The energies and migration barriers of these entities are calculated and compared with experiment. As a result of certain low-energy kinks, a peculiar alternation of the core reconstruction is predicted. We find the solitons to be remarkably mobile even at very low temperature, and propose that they mediate the kink relaxation dynamics.