Low Bias Negative Differential Resistance with Large Peak-to-Valley Ratio in a BDC60 Junction

Based on nonequilibrium Green's function method and density functional theory calculations, we investigate theoretically the electronic transport properties of 1,4-bis(fullerocpyrrolidinl-yl)benzene (BDC60). A low bias negative differential resistance with the peak-to-valley ratio as high as 305.41 is obtained. The observed negative differential resistance is explained in terms of the evolution of the transmission spectra, molecular projected self-consistent Hamiltonian states and molecular projected energy levels with applied bias.