Low bias negative differential resistance in tour wires predicted by first-principles study

Tour wires are considered as potential block materials for molecular electronics in the future. This work provides a first-principles study of the transport properties of three Tour wires sandwiched between two Al leads by pyridine “alligator clip” connecting apex Al atom. We obtained strong negative differential resistance (NDR) effect under very low bias and such NDR effect can be modulated by the length of the Tour wire, which promise the potential applications in molecular devices in the future.