32,126 research outputs found

    First-Principles Study on Electron-Conduction Properties of C60_{60} Chains

    Full text link
    The electron-conduction properties of fullerene chains are examined by first-principles calculations based on the density functional theory. The conductivity of the C60_{60} dimer is low owing to the constraint of the junction of the molecules on electron conduction, whereas the C60_{60} monomer exhibits a conductance of ∼\sim 1 G0_0. One of the three degenerate tu1t_{u1} states of C60_{60} is relevant to conduction and the contributions of the others are small. In addition, we found a more interesting result that the conductance of the fullerene chain is drastically increased by encapsuling metal atoms into cages.Comment: 10pages and 5 figure
    • …
    corecore