<p>The electronic structure of fullerene C<sub>60</sub>, both in its neutral and ionized state, is investigated taking into account the strong intrasite Coulomb interaction. The energy spectrum of the C<sub>60</sub> and C<sub>60</sub><sup>+</sup> systems is calculated in the static fluctuation approximation for the Hubbard model. The optical absorption spectrum is constructed relying on the calculated energy spectrum using the Kubo formula. The optical absorption spectrum curves of C<sub>60</sub> coincide with the experimental curves on the good qualitative level. However, the optical absorption spectrum of C<sub>60</sub><sup>+</sup> does not coincide with the experimental data. The reasons for this discrepancy and the effects that lead to it are discussed.</p>

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Optical absorption of fullerene C60 and ion C60+

  • A. I. Murzashev,
  • N. V. Melnikova,
  • A. P. Zhumanazarov,
  • V. R. Gumarov

摘要

The electronic structure of fullerene C60, both in its neutral and ionized state, is investigated taking into account the strong intrasite Coulomb interaction. The energy spectrum of the C60 and C60+ systems is calculated in the static fluctuation approximation for the Hubbard model. The optical absorption spectrum is constructed relying on the calculated energy spectrum using the Kubo formula. The optical absorption spectrum curves of C60 coincide with the experimental curves on the good qualitative level. However, the optical absorption spectrum of C60+ does not coincide with the experimental data. The reasons for this discrepancy and the effects that lead to it are discussed.