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Modelling Cu, Ag and Au surfaces using empirical potentials
journal contribution
posted on 2023-06-08, 07:37 authored by Hazel CoxHazel Cox, Xinhou Liu, John N MurrellEmpirical 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.
History
Publication status
- Published
Journal
Molecular PhysicsISSN
00268976Publisher
Taylor and FrancisExternal DOI
Issue
6Volume
93Page range
921-924Department affiliated with
- Chemistry Publications
Full text available
- No
Peer reviewed?
- Yes