Optical and magneto-optical properties of the endohedral La@C82 crystal

The magneto-optical properties of solids are theoretically described by the circular dichroism (CD) and birefringence coefficient (). Using the Su-Schrieffer-Heeger (SSH) model in conjunction with the local field method, the optical dielectric tensor, CD and of the simple cubic phase of the La@C82 and C82 crystals are calculated. The results obtained from the La@C82 and C82 crystals are compared with those of the C70 and C60 crystals. It is shown that La@C82 has a richer optical spectrum than C82, C70 and C60. In the La@C82 crystal, absorption bands are shown by spectrum in the 0.58 to 7.0eV region with sharp structures in each band which indicate the localized molecular structure coupled with long-range crystalline order. Results show that the circular dichroism and birefringence coefficient of the La@C82 crystal due to a single spin localized on the C82 cage are very larger than those of the C60, C70 and C82 crystals. Also, results show that the circular dichroism and birefringence coefficient of the C82 crystal are similar to those of the C60 and C70 crystals.