Bulklike structures for medium-sized Al(n) (n=31-40) clusters.
Neutral aluminum clusters Al(n) (n=31-40) were studied using a genetic algorithm (GA)/tight-binding (TB) search combined with DFT-PBE calculations. It is found that the medium-sized aluminum clusters Al(31) to Al(40) exhibit a bulklike stacking pattern. Anion clusters were also studied.
State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, Jilin 130021, People's Republic of China.
Wei
W
Zhang
Wen-Cai
WC
Lu
Qing-Jun
QJ
Zang
C Z
CZ
Wang
K M
KM
Ho