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通过紧束缚近似的计算方法,研究单层巴基葱的电子结构。发展了一种表示巴基葱结构的新方案,以表示所有的正二十面体点群结构的巴基葱。根据它们的几何结构因子,巴基葱的电子结构可以分为两类:一类是准金属球,另一类是宽带隙半导体球。文中还讨论了单层巴基葱电子与几何结构关系的稳定性,指出单层巴基葱的几何结构的方式是决定其电子结构的主要因素。
The electronic structure of the unicot Baki onion was studied by using the method of tight binding approximation. A new scheme has been developed that represents the structure of the Baki onion to represent all the Baki onions that have a point-group structure of the icosahedron. According to their geometric structure factor, the electronic structure of Baki onion can be divided into two categories: one is a metalloid ball, the other is a wide bandgap semiconductor ball. The paper also discusses the stability of the relationship between the electronic structure and the geometrical structure of the Barker onion, and points out that the way of the geometrical structure of the Bark onion is the main factor that determines the electronic structure.