Global structure optimization study on Au 2-20
- 171 Downloads
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
Unable to display preview. Download preview PDF.
- N. Lopez, J.K. Nørskov, J. Am. Chem. Soc. 124, 11263 (2002) Google Scholar
- H. Häkkinen, U. Landman, Phys. Rev. B 62, R2287 (2000) Google Scholar
- G. Seifert, R. Schmidt, New J. Chem. 16, 1145 (1992) Google Scholar
- Y. Dong, M. Springborg, In Proceedings of 3rd International Conference “Computational Modeling and Simulation of Materials”, edited by P. Vincezini et al. (Techna Group Publishers, Faenza, Italy, 2004), p. 167 Google Scholar
- J.H. Holland, Adaption in Natural Algorithms and Artificial systems (University of Michigan Press, Ann Arbor, MI, 1975) Google Scholar
- D.E. Goldberg, Genetic Algorithms in Search, Optimization and Machine Learning (Addison-Wesley, Reading, MA, 1989) Google Scholar