Global structure optimization study on Au2-20
Physical and Theoretical Chemistry, University of Saarland, 66123 Saarbrücken, Germany
Revised: 2 October 2006
Published online: 24 May 2007
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
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2007