Modulation of rectification and negative differential resistance in graphene nanoribbon by nitrogen doping

By applying the nonequilibrium Green's function formalism combined with density functional theory, we have investigated the electronic transport properties of two nitrogen-doped armchair graphene nanoribbon-based junctions M1 and M2. In the left part of M1 and M2, nitrogen atoms are doped at two edges of the nanoribbon. In the right part, nitrogen atoms are doped at one edge and at the center for M1 and M2, respectively. Obvious rectifying and negative differential resistance behaviors are found, which are strongly dependent on the doping position. The maximum rectification and peak-to-valley ratios are up to the order of 10(4) in M2. (C) 2013 Elsevier B.V. All rights reserved.