Glassy Quasithermal Distribution of Local Geometries and Defects in Quenched Amorphous Silicon

P. C. Kelires and J. Tersoff
Phys. Rev. Lett. 61, 562 – Published 1 August 1988
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Abstract

Simulations of amorphous silicon formed by quenching of the liquid indicate that aSi has a Boltzmann-like distribution of local geometries, corresponding to a "glass temperature" of roughly 700 K. The resulting tetrahedral network exhibits native defects, threefold- and fivefold-coordinated atoms, which have mean formation energies of 0.6 and 0.3 eV, respectively, and which are apparently mobile even at fairly low temperatures. These results are obtained by a novel approach to the analysis, and are relatively insensitive to the empirical interatomic potential used in the simulations.

  • Received 25 April 1988

DOI:https://doi.org/10.1103/PhysRevLett.61.562

©1988 American Physical Society

Authors & Affiliations

P. C. Kelires and J. Tersoff

  • IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York 10598

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Vol. 61, Iss. 5 — 1 August 1988

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