New empirical model for the structural properties of silicon
- 10 February 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 56 (6), 632-635
- https://doi.org/10.1103/physrevlett.56.632
Abstract
An empirical interatomic potential for covalent systems is proposed, incorporating bond order in an intuitive way. The potential has the form of a Morse pair potential, but with the bond-strength parameter depending upon local environment. A model for Si accurately describes bonding and geometry for may structures, including highly rebonded surfaces.Keywords
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