We suggest that the commonly-accepted core structure of the 90-degree partial dislocation in Si may not be correct, and propose instead a period-doubled structure. We present LDA, tight-binding, and classical Keating-model calculations, all of which indicate that the period-doubled structure is lower in energy. The new structure displays a broken mirror symmetry in addition to the period doubling, leading to a wide variety of possible soliton-like defects and kinks.
@article{arxiv.cond-mat/9704079,
title = {A period-doubled structure for the 90-degree partial dislocation in silicon},
author = {J. Bennetto and R. W. Nunes and David Vanderbilt},
journal= {arXiv preprint arXiv:cond-mat/9704079},
year = {2009}
}
Comments
4 pages, two-column style with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#jb_dis