Platelike structures of semiconductor clusters Ge(n) (n = 40-44).
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.
State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021, People's Republic of China.
Wei
W
Qin
Wen-Cai
WC
Lu
Li-Zhen
LZ
Zhao
Qing-Jun
QJ
Zang
Guang-Ju
GJ
Chen
C Z
CZ
Wang
K M
KM
Ho