Negative differential resistance in a one-dimensional molecular wire with odd number of atoms

We have investigated the effects of electron-phonon coupling on the current-voltage characteristics of a one-dimensional molecular wire with odd number of atoms. The wire has been modelled using the Su-Schreiffer-Heeger (SSH) Hamiltonian and the current-voltage characteristics have been obtained using the Landauer’s formalism. In the presence of strong electron-lattice coupling, we find that there are regions of negative differential resistance (NDR) at some critical bias, due to the degeneracy in the energies of the frontier molecular orbitals. The presence of the applied bias and the electron-lattice coupling results in the delocalization of these low-lying molecular states leading to the NDR behaviour.