Phys. Rev. Lett. 79, 245 - 248 (1997)Period-Doubled Structure for the 90° Partial Dislocation in Silicon |
PRL Celebrates 50 Years
This Week's Milestone Letters are from 1984: |
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
2band Institute for Computational Sciences, George Mason University, Fairfax, Virginia 20375–5345
Received 3 April 1997
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.
©1997 The American Physical Society
URL: http://link.aps.org/abstract/PRL/v79/p245
DOI: 10.1103/PhysRevLett.79.245
PACS: 61.72.Lk, 71.15.Fv
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