Literature DB >> 20528033

Geometric structures of Ge(n) (n=34-39) clusters.

Wei Qin1, Wen-Cai Lu, Qing-Jun Zang, Li-Zhen Zhao, Guang-Ju Chen, C Z Wang, K M Ho.   

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).

Entities:  

Year:  2010        PMID: 20528033     DOI: 10.1063/1.3425995

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  2 in total

1.  Atomic scale dynamics of ultrasmall germanium clusters.

Authors:  S Bals; S Van Aert; C P Romero; K Lauwaet; M J Van Bael; B Schoeters; B Partoens; E Yücelen; P Lievens; G Van Tendeloo
Journal:  Nat Commun       Date:  2012-06-12       Impact factor: 14.919

2.  A remarkable mixture of germanium with phosphorus and arsenic atoms making stable pentagonal hetero-prisms [M@Ge5E5]+, E = P, As and M = Fe, Ru, Os.

Authors:  Hung Tan Pham; Cam-Tu Dang Phan; Minh Tho Nguyen; Nguyen Minh Tam
Journal:  RSC Adv       Date:  2020-05-27       Impact factor: 4.036

  2 in total

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