文献类型：期刊文献

英文题名：Structural Growth Sequences and Electronic Properties of Lanthanum-Doped-Gold Clusters

作者：Zhao, Li-Xia[1];Feng, Xiao-Juan[1];Zhang, Meng[1];Luo, You-Hua[1]

机构：[1]E China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China

年份：2010

卷号：21

期号：4

起止页码：701

外文期刊名：JOURNAL OF CLUSTER SCIENCE

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000285203400010)】；

基金：This work is financially supported by the Foundation for the research starting of East China University of Science and Technology (Grant No. YK0142109).

语种：英文

外文关键词：AunLa clusters; Equilibrium geometry; Electronic property; Charge transfer

摘要：The geometries, stabilities, and electronic properties of Au (n) La (n = 2-8) clusters have been systematically investigated by using density-functional theory. The results show that the doped La atom prefers to locate at the center site with the number of Au atom increasing from 2 to 8. Furthermore, the Au (n) La clusters are more stable than the Au (n+1) clusters. The charges transfer from La atom to Au atoms at n = 2-4, but charge-transferring is reversed at n = 5.