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Original Articles

Towards a general strategy for global interatomic potentials for elemental solids, surfaces and clusters

Pages 163-174 | Received 08 Aug 1994, Accepted 30 May 1995, Published online: 27 Sep 2006
 

Abstract

A review is given of studies that have been made by the Sussex research group on two-body plus three-body potentials for elemental solids, surfaces and clusters. Parameters are fitted to properties of the bulk solid (cohesive energy, lattice spacing, phonon frequencies, elastic constants and vacancy formation energy), and the potentials have been shown to give sensible structures for clusters and, in the few cases examined, for surface energies and structures. The same functional form of the potential has been used for simple metals, transition metals and group 4 solids.

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