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