Electronic structures of mercury clusters

S. Ohnishi1, Y. Ishii2
1NEC Fundamental Research Laboratories, Tsukuba, Ibaraki, Japan
2Faculty of Science, Himeji Institute of Technology, Hyogo Japan

Tóm tắt

Electronic structures of mercury clusters are studied by the self-consistent calculations. It is found that an icosahedral Hg13 cluster is characterized by the atomic nature with closed electronic shell configuration while a significant amount of thespd-hybridization is observed for a Hg19 cluster with a double-icosahedral shape. The electronic structure of a Hg12Ag cluster is also studied with a special focus on the electronic shell structure.

Tài liệu tham khảo

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