%0 Journal Article
%T Al<sub>7</sub>C团簇的电子结构分析<br>The Analysis of Electronic Structure of Al<sub>7</sub>C Cluster
%A 杨慧慧
%A 陈雨欣
%J Advances in Condensed Matter Physics
%P 26-31
%@ 2326-3520
%D 2020
%I Hans Publishing
%R 10.12677/CMP.2020.92004
%X 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。Al<sub>7</sub>C团簇的分子轨道与凝胶模型预测的一致。Al<sub>7</sub>C团簇的电子组态是1S<sup>2</sup>1P<sup>6</sup>2S<sup>2</sup>1D<sup>10</sup>1F<sup>5</sup>。<br />
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 Al<sub>7</sub>C accord with the shell structures predicted by the jellium model. The electronic configuration of Al<sub>7</sub>C is 1S<sup>2</sup>1P<sup>6</sup>2S<sup>2</sup>1D<sup>10</sup>1F<sup>5</sup>.
%K Al<sub>7</sub>C团簇，态密度，分子轨道<br>Al<sub>7</sub>C Cluster
%K Density of States
%K Molecular Orbital
%U http://www.hanspub.org/journal/PaperInformation.aspx?PaperID=35508