TY - JOUR
T1 - Stuffed fullerene structures for medium-sized silicon clusters
AU - Zhao, J.
AU - Wang, J.
AU - Jellinek, J.
AU - Yoo, S.
AU - Zeng, X. C.
PY - 2005/7
Y1 - 2005/7
N2 - The structural properties of medium-sized silicon clusters (Si 40, Si45 and Si50) have been studied using an unbiased global genetic algorithm search incorporated with a tight-binding model, followed by gradient-corrected density functional calculations. Stuffed fullerene cages are obtained as energetically favorite structures. The stuffing/cage ratio (m/n for Sim@Sin) can be understood by a space filling picture. The present results, along with our recent works on SiN (N=27-39) clusters [20], suggest that stuffed fullerene cages are the preferred structural growth pattern of medium-sized silicon clusters.
AB - The structural properties of medium-sized silicon clusters (Si 40, Si45 and Si50) have been studied using an unbiased global genetic algorithm search incorporated with a tight-binding model, followed by gradient-corrected density functional calculations. Stuffed fullerene cages are obtained as energetically favorite structures. The stuffing/cage ratio (m/n for Sim@Sin) can be understood by a space filling picture. The present results, along with our recent works on SiN (N=27-39) clusters [20], suggest that stuffed fullerene cages are the preferred structural growth pattern of medium-sized silicon clusters.
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U2 - 10.1140/epjd/e2005-00113-x
DO - 10.1140/epjd/e2005-00113-x
M3 - Article
AN - SCOPUS:23744468299
SN - 1434-6060
VL - 34
SP - 35
EP - 37
JO - European Physical Journal D
JF - European Physical Journal D
IS - 1-3
ER -