Period-Doubled Structure for the 90° Partial Dislocation in Silicon

J. Bennetto, R. W. Nunes, and David Vanderbilt
Phys. Rev. Lett. 79, 245 – Published 14 July 1997
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Abstract

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.

  • Received 3 April 1997

DOI:https://doi.org/10.1103/PhysRevLett.79.245

©1997 American Physical Society

Authors & Affiliations

J. Bennetto1, R. W. Nunes2, and David Vanderbilt1

  • 1Department of Physics and Astronomy, Rutgers University, Piscataway, New Jersey 08855-0849
  • 2Complex System Theory Branch, Naval Research Laboratory, Washington, D.C., 20375-53459
  • 3and Institute for Computational Sciences, George Mason University, Fairfax, Virginia 20375–5345

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Vol. 79, Iss. 2 — 14 July 1997

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