Models of core reconstruction for the 90-degree partial dislocation in semiconductors
Abstract
We compare the models that have been proposed in the literature for the atomic structure of the 90-degree partial dislocation in the homopolar semiconductors, silicon, diamond, and germanium. In particular, we examine the traditional single-period and our recently proposed double-period core structures. Ab-initio and tight-binding results on the core energies are discussed, and the geometries are compared in light of the available experimental information about dislocations in these systems. The double-period geometry is found to be the ground-state structure in all three materials. We address boundary-conditions issues that have been recently raised about these results. The structures of point excitations (kinks, solitons, and kink-soliton complexes) in the two geometries are also reviewed.
Cite
@article{arxiv.cond-mat/0008135,
title = {Models of core reconstruction for the 90-degree partial dislocation in semiconductors},
author = {R. W. Nunes and David Vanderbilt},
journal= {arXiv preprint arXiv:cond-mat/0008135},
year = {2009}
}
Comments
9 pages, with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/rn_eds/index.html