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arXiv · 0810.2052

Structural fuzziness of large gold clusters

Kuo Bao·Stefan Goedecker·Kenji Koga·Frederic Lancon·Alexey Neelov
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Abstract

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.

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Kuo Bao, Stefan Goedecker, Kenji Koga, Frederic Lancon, Alexey Neelov. 2008-10-11. Structural fuzziness of large gold clusters. https://arxiv.org/abs/0810.2052

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