Electronic Transmission of C_(60),C_(180) and C_(60)@C_(180) Fullerene Molecules

The extend Huckel method and Green's function were used to analyze the electronic structure and the electronic transmission of the C_(60),C_(180) and C_(60)@C_(180) fullerenes under the action of Au-electrodes.According to the calculated results,the differences of their electronic structure and electronic transmission were discussed.The results show that due to the intervention of the Au electrodes to the C_(60),C_(180) and C_(60)@C_(180) molecules,their energy-level gaps between the LUMO and HOMO become narrow.The coalescent between the Au electrodes and the C_(60),C_(180) or C_(60)@C_(180) molecule includes covalent bond and electrovalent bond.The coalescent between the Au electrodes and the C_(60)@C_(180) molecule is significant electrovalent bond.The conductivities of the three electrode-fullerene molecule-electrode systems conform to the order of C_(180)C_(60)C_(60)@C_(180) when the external voltage is in the range of 1.2 to 3.0 V and C_(60)C_(180)C_(60)@C_(180) when the external voltage is in the range of 0 to 0.8 V and 3.7 to 5.0 V.