Abstract

The anticommutator Green’s functions and energy spectra of fullerene С₈₀ and endohedral fullerenes Lu₃N@C₈₀ and Y₃N@С₈₀ with symmetry group I_h are obtained analytically within the Hubbard model in the static fluctuation approximation. Their energy states are classified and allowed transitions in the energy spectra of the С₈₀, Lu₃N@C₈₀ and Y₃N@С₈₀ molecules are determined using group-theory methods. The experimentally observed optical absorption bands of endohedral fullerenes Lu₃N@C₈₀ and Y₃N@С₈₀ are interpreted based on the energy spectra.

中文翻译：

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Hubbard模型中内嵌富勒烯Lu3N@C80和Y3N@С80的能谱和光吸收谱

摘要

具有对称群I _{h的富勒烯С 80}和内嵌富勒烯Lu ₃ N@C ₈₀和Y ₃ N@С ₈₀的反对向子格林函数和能谱是在Hubbard模型内以静态波动近似解析得到的。_{它们的能态被分类并允许在С 80}、Lu ₃ N@C ₈₀和Y ₃ N@С ₈₀分子的能谱中的跃迁使用群论方法确定。实验观察到的内嵌富勒烯 Lu ₃ N@C ₈₀和 Y的光学吸收带₃ N@С ₈₀基于能谱解释。