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Geometric structures of Gen (n=34–39) clusters
- Source :
- The Journal of Chemical Physics. 132:214509
- Publication Year :
- 2010
- Publisher :
- AIP Publishing, 2010.
-
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).
Details
- ISSN :
- 10897690 and 00219606
- Volume :
- 132
- Database :
- OpenAIRE
- Journal :
- The Journal of Chemical Physics
- Accession number :
- edsair.doi.dedup.....1e259d115acf55ecd4fdae70039389ce