Mapping the magic numbers in binary Lennard-Jones clusters
Jonathan P. K. Doye and Lars Meyer
Phys. Rev. Lett. 95, 063401 (2005)
AbstractUsing a global optimization approach that directly searches for the composition of greatest stability, we have been able to find the particularly stable structures for binary Lennard-Jones clusters with up to 100 atoms for a range of Lennard-Jones parameters. In particular, we have shown that just having atoms of different size leads to a remarkable stabilization of polytetrahedral structures, including both polyicosahedral clusters and at larger sizes structures with disclination lines.
The full paper is available from Physical Review Letters Online and arXiv.org.
See also the entry for Binary Lennard-Jones clusters in the Cambridge Cluster Database.