Energy Spectrum and Optical Absorption Spectra of endohedral Fullerenes Lu-=SUB=-3-=/SUB=-N\@C-=SUB=-80-=/SUB=- and Y-=SUB=-3-=/SUB=-N\@C-=SUB=-80-=/SUB=- within the Hubbard Model

Abstract

Anticommutator Green's functions and energy spectra of fullerene C80, endohedral fullerenes Lu3N@C80 and Y3N@C80 with the Ih symmetry groups have been obtained in an analytical form within the Hubbard model and static fluctuation approximation. The energy states have been classified using the methods of group theory, and the allowed transitions in the energy spectra of molecules C80, Lu3N@C80 and Y3N@C80 have been determined. On the basis of these spectra, an interpretation of experimentally observed optical absorption bands endohedral fullerenes Lu3N@C80 and Y3N@C80. Keywords: Hubbard model, Green's functions, energy spectrum, nanosystems, fullerene C80, endohedral fullerene Lu3N@C80, endohedral fullerene Y3N@C80.