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The European Physical Journal D

, Volume 43, Issue 1–3, pp 15–18 | Cite as

Global structure optimization study on Au 2-20

  • Y. DongEmail author
  • M. Springborg
Structure and Thermodynamics of Free Clusters

Abstract.

The geometries and electronic properties of the most stable small Aun clusters with n=2 to 20 are presented. An intensive search for low-energy minima of Aun clusters was carried through using a density-functional tight-binding method combined with genetic algorithms for an unbiased global structure optimization. The structural and energetic properties of the small gold clusters are compared with those of planar Aun clusters with n=5 to 15.

PACS.

36.40.-c Atomic and molecular clusters 61.46.Bc Clusters 

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Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2007

Authors and Affiliations

  1. 1.Physical and Theoretical Chemistry, University of SaarlandSaarbrückenGermany

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