Electronic structure and contact resistance at an open-end carbon nanotube and copper interface

Abstract

We report a quantum mechanics study on the electronic structure and contact resistance at an open-end carbon nanotube and copper interface. The local density of states near the carbon nanotube (CNT)/Cu interface are computed using density functional theory (DFT), and the transmission coefficient is calculated using a nonequilibrium Green’s function method in conjunction with DFT. The current-voltage relation of the simulating cell is obtained by using the Landauer–Buttiker formula, from which the contact resistance can be determined. Our results indicate that the contact resistance of the Cu/CNT/Cu system is comparable to that of solder/Cu interface in electronic packaging.