Are In13M (M = Li, Na, K) magic clusters? - A comparison with Al13M

作者：Liu Yuzhen; Xiao Chuanyun^*; Deng Kaiming; Yuan Yongbo; Chen Xuan; Huang Decai; Li Qunxiang

来源：Chemical Physics Letters, 2009, 484(1-3): 18-23.

DOI：10.1016/j.cplett.2009.11.002

Density functional study was performed on the stability of InnM (n = 11-15, M = Li, Na, K) clusters. In13M are characterized by electronic shell closure with enhanced stability, larger HOMO-LUMO gap, higher ionization potential, and lower electron affinity as compared with clusters of adjacent sizes, while very similar size dependence was found between InnM and AlnM in their electronic properties, suggesting that In13M be magic clusters and promising as building blocks in developing cluster-assembled materials. The calculated AEA of In-13 is close to that of iodine, implying it would behave like a halogen atom in ionic In13M molecule.

• 出版日期2009-12-8
• 单位中国科学技术大学; 南京理工大学