Empirical potentials for modeling solids, surfaces, and clusters

Citation
H. Cox et al., Empirical potentials for modeling solids, surfaces, and clusters, J SOL ST CH, 145(2), 1999, pp. 517-540
Citations number
86
Categorie Soggetti
Inorganic & Nuclear Chemistry
Journal title
JOURNAL OF SOLID STATE CHEMISTRY
ISSN journal
00224596 → ACNP
Volume
145
Issue
2
Year of publication
1999
Pages
517 - 540
Database
ISI
SICI code
0022-4596(199907)145:2<517:EPFMSS>2.0.ZU;2-B
Abstract
A review of studies that have been made using the Murrell-Mottram two-pins- three-body empirical potential is presented. The explicit many-body nature of the potential is described and the fitting of these potentials to experi mental data an one or more solid phases is detailed. Comparisons are made b etween potentials for various nonmetallic and metallic elements, from which trends in the parameters defining the potentials can clearly be seen. Exam ples of the many applications of these potentials to the study of solids (r elative stabilities and phase transitions), surfaces (energies, relaxation and reconstructions), melting (both of the bulk and of the surfaces), and c lusters (structures, growth, and dynamics) are given. (C) 1999 Academic Pre ss.