The electronic state of fullerenes doped by oxygen

Abstract The spectral studies of photoluminescence, refrative index ( n ), coefficient of absorption ( k ), components of dielectric constant e , and optical conductivity σ in the С 60 films doped by oxygen with the varied conditions of annealing are carried out. The density of electronic states ( g ( E )), transfer of charges (Δ Z ), and optical conductivity ( σ ( E )) for С 60 fullerenes in the fcc lattice, and also for some of their compounds with oxygen are calculated from the first principles. It is shown that for explaining the changes in the luminescence spectra and the optical conductivity of the above materials doped by oxygen it is necessary to consider two states, one of which corresponds the chemically bound, and another the intercalated oxygen molecules.