Cerium-Doped Endohedral Fullerene: A Density-Functional Theory Study
Figure 5
(a) Total charge density plot along the plane passing through the center of the fullerene. Partial charge density plots at the Γ point of the principle directions of the (b) highest occupied and (c) lowest unoccupied states. The minimum and maximum of charge density is 0.02 and 0.08 e/a.u3, respectively.