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

Abstract

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.

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

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• Stability of undissociated screw dislocations in zinc-blende covalent materials from first principle simulations
• Stabilization and self-passivation of symmetrical grain boundaries by mirror symmetry breaking
• Models of core reconstruction for the 90-degree partial dislocation in semiconductors
• Stability of the Period-Doubled Core of the 90-degree Partial in Silicon
• New Physics of the $30^{\circ }$ Partial Dislocation in Silicon Revealed through {\em Ab Initio} Calculation