Structural fuzziness of large gold clusters

Autor: Bao, Kuo, Goedecker, Stefan, Koga, Kenji, Lancon, Frederic, Neelov, Alexey
Rok vydání: 2008
Předmět:
Druh dokumentu: Working Paper
Popis: 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.
Databáze: arXiv