Source and sink approach to calculate transport properties of nanostructures

Kalman Varga; Sokrates Pantelides

Source and sink approach to calculate transport properties of nanostructures

ORAL

Abstract

We have calculated the transport properties of single molecule and carbon nanotube devices using the the Source and Sink method. We have carefully tested the convergence of the current by enlarging the basis. The fully converged current-voltage characteristics presented in this paper can serve as benchmark for transport calculations. We also compare our results to those obtained by other approaches and analyze the source of disagreements.

March 17, 2006, 11:39 AM – March 17, 2006, 11:51 AM

Authors

Kalman Varga
Sokrates Pantelides

Vanderbilt University, Department of Physics and Astronomy, Vanderbilt University, Nashville, TN, Department of Physics and Astronomy, Vanderbilt University