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Structure of large gold clusters obtained by global optimization using the minima hopping method

Bao, Kuo and Goedecker, Stefan and Koga, Kenji and Lancon, Frederic and Neelov, Alexey. (2009) Structure of large gold clusters obtained by global optimization using the minima hopping method. Physical Review B, Vol. 79, H. 4 , 041405, 4 S..

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Official URL: http://edoc.unibas.ch/dok/A5251776

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Abstract

The energetic ground state of gold clusters with up to 318 atoms consists of complex geometries that have only a limited 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.
Faculties and Departments:05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker)
UniBasel Contributors:Goedecker, Stefan
Item Type:Article, refereed
Article Subtype:Research Article
Bibsysno:Link to catalogue
Publisher:American Institute of Physics
ISSN:0163-1829
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:22 Mar 2012 14:25
Deposited On:22 Mar 2012 13:49

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