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.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 131–134, December, 2018.
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Lobanov, B.V., Murzashev, A.I. & Melnikova, N.V. Optical Absorption Spectrum of Metal–Nitride Complexes of С80 Fullerene as Strongly Correlated Systems. Russ Phys J 61, 2288–2292 (2019). https://doi.org/10.1007/s11182-019-01669-0
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DOI: https://doi.org/10.1007/s11182-019-01669-0