Modelling gold clusters with an empirical many-body potential

Citation
Nt. Wilson et Rl. Johnston, Modelling gold clusters with an empirical many-body potential, EUR PHY J D, 12(1), 2000, pp. 161-169
Citations number
37
Categorie Soggetti
Physics
Journal title
EUROPEAN PHYSICAL JOURNAL D
ISSN journal
14346060 → ACNP
Volume
12
Issue
1
Year of publication
2000
Pages
161 - 169
Database
ISI
SICI code
1434-6060(200010)12:1<161:MGCWAE>2.0.ZU;2-1
Abstract
Molecular Dynamics Simulated Annealing has been used to probe the structure of small Au clusters consisting of between 2 and 40 atoms. The interatomic interactions within these clusters are described using an empirical Murrel l-Mottram many-body potential energy function. Four distinct structural mot ifs are present in the structures of the predicted global minima, based on octahedra, decahedra, icosahedra and hexagonal prisms.