POTENTIAL-ENERGY FUNCTIONS FOR CU, AG AND AU SOLIDS AND THEIR APPLICATION TO CLUSTERS OF THESE ELEMENTS

Authors
FANG JY JOHNSTON RL MURRELL JN
Citation
Jy. Fang et al., POTENTIAL-ENERGY FUNCTIONS FOR CU, AG AND AU SOLIDS AND THEIR APPLICATION TO CLUSTERS OF THESE ELEMENTS, Journal of the Chemical Society. Faraday transactions, 89(11), 1993, pp. 1659-1665
Citations number
36
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Journal title
Journal of the Chemical Society. Faraday transactions → ACNP
ISSN journal
09565000
Volume
89
Issue
11
Year of publication
1993
Pages
1659 - 1665
Database
ISI
SICI code
0956-5000(1993)89:11<1659:PFFCAA>2.0.ZU;2-H
Abstract
Empirical potential functions comprising two- and three-body terms hav e been derived for Cu, Ag and Au by fitting parameters to the phonon f requencies, elastic constants, bulk cohesive energies, vacancy formati on energies and lattice distances of the f.c.c. solids. The potentials predict compact structures for small clusters of the elements with mo re metastable structures for Ag than for Cu and Au.