LAUSR

We have applied density functional theory calculations to study polarizability of the Si60H60 derivatives with epoxide moieties (Si60H60−2nOn with n up to 30). The results show that mean polarizability, α, of oxygen-containing silicon fullerene derivatives is higher than that of Si60H60. The mean polarizabilities of the isomers slightly depend on the positional relationship of the epoxide moieties, and are determined mainly by the number of epoxide moieties. Mean polarizabilities of Si60H60−2nOn linearly increase with n, and are characterized by the depression of polarizability. The formula describing the mean polarizability as a function of the number of epoxide groups has been obtained, which may be important for the design of silicon-containing nanostructures with regulated polar parameters.