Geometric structures of Ge-n (n=34-39) clusters
| Title | Geometric structures of Ge-n (n=34-39) clusters |
| Publication Type | Journal Article |
| Year of Publication | 2010 |
| Authors | Qin W, Lu WC, Zang QJ, Zhao LZ, Chen GJ, Wang CZ, Ho KM |
| Journal Title | Journal of Chemical Physics |
| Volume | 132 |
| Pages | 214509 |
| Date Published | 06/07 |
| ISBN Number | 0021-9606 |
| Accession Number | ISI:000278511900025 |
| Keywords | ab initio calculations, atomic clusters, density functional theory, germanium, germanium clusters, growth-patterns, information, ion mobility measurements, metal clusters, model, si, silicon, spheres, tight-binding calculations, transition |
| Abstract | The structures of Ge-n (n=34-39) clusters were searched by a genetic algorithm using a tight-binding interatomic potential. First-principles calculations based on density functional theory were performed to further identify the lowest-energy structures. The calculated results show that Ge-n (n=34-39) clusters favor prolate or Y-shaped three-arm structures consisting of two or three small stable clusters (Ge-6, Ge-7, Ge-9, or Ge-10) linked by a Ge-6 or Ge-9 bulk unit. The calculated results suggest the transition point from prolate to Y-shaped three-arm structures appears at Ge-35 or Ge-36. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3425995] |
| URL | <Go to ISI>://000278511900025 |
| DOI | 10.1063/1.3425995 |
