Linear optical properties of the Dopyballs C(60-n)X(n) (X=B or N; n=1,2)

The linear optical absorption of dopyballs C(60-n)X(n) (X = B or N; n = 1,2) is studied using the extended Su-Schrieffer-Heeger model and the sum-over-states approach. Comparing the calculated results of C(60-n)X(n) With those of C-60, it is shown that the substitutional doping of impurity atoms (B or N) can greatly change the optical properties of the C-60 system. Many absorption peaks due to substitutional doping appear in the low frequency region. In particular, a remarkable peak is found at the low frequency end in C(58)X(2) (1,60) isomers.