Contact transparency inducing negative differential resistance in nanotube-molecule-nanotube junction predicted by first-principles study

We construct a molecular junction where propyl contacts two armchair carbon nanotubes through five-member ring and perform the first-principles calculations of its transport properties. The negative differential resistance effect with peak-to-valley ratio of 700% is present. Our investigations indicate that contact transparency can induce negative differential resistance in nanotube-molecule-nanotube junction, which may promise the potential application in nano-electronics devices in the future.