Current-voltage characteristics in donor-acceptor systems: Implications of a spatially varying electric field

We have studied the transport properties of a molecular device composed of donor and acceptor moieties between two electrodes on either side. The device is considered to be one-dimensional with different on-site energies and the nonequilibrium properties are calculated using Landauer's formalism. The current-voltage characteristics are found to be asymmetric with a sharp negative differential resistance (NDR) at a critical bias on one side and very small current on the other side. The NDR arises primarily due to the bias driven electronic structure change from one kind of insulating phase to another through a highly delocalized conducting phase. Our model can be considered to be the simplest to explain the experimental current-voltage characteristics observed in many molecular devices.