Mapping the magic numbers in binary Lennard-Jones clusters

Details Mapping the magic numbers in binary Lennard-Jones clusters Mapping the magic numbers in binary Lennard-Jones clusters

2005-04-27

arxiv.org/abs/cond-mat/0504726v2

Phys. Rev. Lett. 95, 063401 (2005)

Physics

Condensed Matter

Materials Science

5 pages, 5 figures

Scientific paper

10.1103/PhysRevLett.95.063401

Using 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.

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