Hysteresis, Switching, and Negative Differential Resistance in Molecular Junctions:  A Polaron Model

Within a simple mean-field model (self-consistent Hartree approximation) we discuss the possibility of polaron formation on a molecular wire as a mechanism for negative differential resistance (NDR), switching, and/or hysteresis in the I−V characteristic of molecular junctions. This mechanism differs from earlier proposed mechanisms of charging and conformational change. The polaron model captures the essential physics and provides qualitative correspondence with experimental data. The importance of active redox centers in the molecule is indicated.