Al7C团簇的电子结构分析
The Analysis of Electronic Structure of Al7C Cluster
DOI: 10.12677/CMP.2020.92004, PDF,    科研立项经费支持
作者: 杨慧慧*, 陈雨欣：西安航空学院，理学院，陕西 西安
关键词: Al7C团簇；态密度；分子轨道；Al7C Cluster； Density of States； Molecular Orbital
摘要: 碳掺杂铝团簇可以明显增强团簇的稳定性，改变铝团簇的电子结构。分子轨道分析结果表明C的2P轨道和Al的3S轨道形成了很好的重叠。Al7C团簇的分子轨道与凝胶模型预测的一致。Al7C团簇的电子组态是1S21P62S21D101F5。
Abstract: Doping carbon into aluminum cluster can significantly increase the stability and changes the elec-tronic structure of the aluminum cluster. Analyses of the molecular orbitals show that the C 2P and Al 3S orbitals overlap very well. The molecular orbitals of Al7C accord with the shell structures predicted by the jellium model. The electronic configuration of Al7C is 1S21P62S21D101F5.
文章引用：杨慧慧, 陈雨欣. Al7C团簇的电子结构分析[J]. 凝聚态物理学进展, 2020, 9(2): 26-31. https://doi.org/10.12677/CMP.2020.92004

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