Modelling gold clusters with an empirical many-body potential
School of Chemistry, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK
Revised: 23 March 2000
Published online: 15 October 2000
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 Murrell-Mottram many-body potential energy function. Four distinct structural motifs are present in the structures of the predicted global minima, based on octahedra, decahedra, icosahedra and hexagonal prisms.
PACS: 61.46.+w – Clusters, nanoparticles, and nanocrystalline materials / 36.40.-c – Atomic and molecular clusters
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2000