2008/10/11 by Bao, Kuo, Goedecker, Stefan, Koga, Kenji +2
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
paper · doi:10.48550/arxiv.0810.2052
The energetic ground state of gold clusters with up to 314 atoms consists of rather complicated geometries that have only a weak resemblance to the perfect icosahedra, decahedra and octahedra that are encountered for some magic numbers. The structure changes in most cases completely by the addition of a single atom. Other low energy structures are so close in energy that their Boltzmann weight is not negligible at room temperature.