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

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. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3354077]