We suggest that the commonly accepted core structure of the 90° partial dislocation in Si may not be correct, and propose instead a period-doubled structure. We present local-density approximation, 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 solitonlike defects and kinks.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)