Modelling Cu, Ag and Au surfaces using empirical potentials

Cox, Hazel, Liu, Xinhou and Murrell, John N (1998) Modelling Cu, Ag and Au surfaces using empirical potentials. Molecular Physics, 93 (6). pp. 921-924. ISSN 00268976

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Abstract

Empirical potential energy functions, comprising two- and three-body terms, have been derived for copper, silver and gold. These potentials reproduce the experimental energies and relaxations of the (111), (110) and (100) surfaces of the fcc solid, to a high degree of accuracy and correctly predict the 1 × 2 reconstruction of the (110) surface of gold.

Item Type: Article
Schools and Departments: School of Life Sciences > Chemistry
Depositing User: Hazel Cox
Date Deposited: 06 Feb 2012 20:44
Last Modified: 28 Mar 2012 11:10
URI: http://sro.sussex.ac.uk/id/eprint/27853
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