Optical and magneto-optical properties of the electron-doped and hole-doped C82 crystal

The optical and magnetic properties of the doped C82 crystal have been investigated by Su-Schrieffer-Heeger (SSH) model, which is based on the Ewald method. When the C82 molecule is doped with one electron (or hole), a single electron is remained in the energy level that affects the optical and magnetic properties of the C82 crystal. The lattice and electronic structures of C82 changed with doping electron (or hole) in the molecule of C82. Therefore, polarons are predicted in doped fullerenes. The obtained results showed that the dielectric tensor of the C82 crystal increased with doping electron (or hole) in the molecule of C82. The spectral shapes of the dielectric tensor, circular dichroism and birefringence coefficient of the C82 crystal turn out to be determined mainly by the geometrical distributions of the pentagons in the fullerene structures.