Optical Absorption Spectrum of Metal–Nitride Complexes of С80 Fullerene as Strongly Correlated Systems

Abstract

Within the framework of Hubbard’s model using an approximation of static fluctuations, the energy spectrum of the π-electron subsystem of an icosahedral C₈₀ fullerene isomer is obtained. Based on the energy spectrum, an optical absorption spectrum of metal-nitride complexes M₃N@C₈₀ (M = Gd, Tm, Dy) is simulated. It is quite consistent with the respective experimental spectrum.