| Literature DB >> 19791894 |
Wei Qin1, Wen-Cai Lu, Li-Zhen Zhao, Qing-Jun Zang, Guang-Ju Chen, C Z Wang, K M Ho.
Abstract
The structures of Ge(n) (n=40-44) clusters were searched by genetic algorithm combined with a tight-binding method. First-principles calculations based on density functional theory were performed to further optimize the isomer structures. The calculated results show that Ge(n) (n=40-44) clusters favor platelike structures, consisted of four small magic clusters (Ge(9) or Ge(10)), and a Ge(4) core. The Ge(4) core along with the parts of the four linked small clusters forms a diamond segment. The cluster mobilities of the most stable structures are in good agreement with the experimental data.Year: 2009 PMID: 19791894 DOI: 10.1063/1.3230602
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488