Transport properties and mechanism of C_(60) coupled to carbon nanotube electrode

摘要

By applying non-equilibrium Greens functions in combination with density-functional theory, we investigate electronic transport properties of C_(60) coupled to carbon nanotubes and Li electrodes. The results show that electronic transport properties of CNTC_(60)CNT and LiC _(60)Li systems are completely different. Nonlinear IV characteristic, varistor-type behavior and negative differential resistance (NDR) phenomenon are observed when electrodes are carbon nanotubes. We discuss the mechanism of IV characteristics of CNTC_(60)CNT systems in details. Our results suggest conductance, energy level of Frontier molecular orbitals, energy gap between HOMO and LUMO, the coupling between molecular orbitals and electrodes are all playing critical roles in electronic transport properties.