Condensed Matter, abstract
cond-mat/9704079

From: David Vanderbilt <dhv@physics.rutgers.edu>
Date: Wed, 9 Apr 1997 14:08:14 -0400   (64kb)

A period-doubled structure for the 90-degree partial dislocation in silicon

Authors: J. Bennetto, R. W. Nunes, David Vanderbilt (Department of Physics and Astronomy, Rutgers University)
Comments: 4 pages, two-column style with 3 postscript figures embedded. Uses REVTEX and epsf macros. Also available at this http URL
Subj-class: Materials Science

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.

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