Empirical interatomic potential for silicon with improved elastic properties

J. Tersoff
Phys. Rev. B 38, 9902 – Published 15 November 1988
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Abstract

An alternative parametrization is given for a previous empirical interatomic potential for silicon. The new potential is designed to more accurately reproduce the elastic properties of silicon, which were poorly described in the earlier potential. The properties of liquid Si are also improved, but energies of surfaces are less accurate. Detailed tests of the new potential are described.

  • Received 20 May 1988

DOI:https://doi.org/10.1103/PhysRevB.38.9902

©1988 American Physical Society

Authors & Affiliations

J. Tersoff

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

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Issue

Vol. 38, Iss. 14 — 15 November 1988

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