Abstract
The energy spectrum of the fullerene C72 has been calculated in terms of the Shubin-Vonsovskii-Hubbard model. Based on this spectrum, the spectrum of the optical absorption of the endohedral fullerene Ca@C72 has been calculated. The spectrum of the optical absorption agrees well with the experimental data. This suggests that all absorption bands in the range of 0–3 eV in endohedral fullerene can be explained by the purely electronic transitions in the subsystem of π electrons.
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Original Russian Text © A.I. Murzashev, T.E. Nazarova, 2014, published in Fizika Metallov i Metallovedenie, 2014, Vol. 115, No. 7, pp. 675–681.
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Murzashev, A.I., Nazarova, T.E. Energy spectrum and spectrum of optical absorption of endohedral fullerene Ca@C72 . Phys. Metals Metallogr. 115, 635–641 (2014). https://doi.org/10.1134/S0031918X14040103
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DOI: https://doi.org/10.1134/S0031918X14040103