Current Streamline Flow on Current-induced Effects in Highly Asymmetric Molecular Junctions

Abstract

From first-principles approaches, we illustrate that the current-induced forces and the selection rule for inelastic effects are highly relevant to the current density in an asymmetric molecular junction. The curved flow of current streamline around the asymmetric molecule may induce a net torque, which tends to rotate the benzene molecule, similar to the way a stream of water rotates a waterwheel. Thus, the Pt/benzene junction offers a practical system in the exploration of the possibility of atomic-scale motors. We also enumerate examples to show that the use of selection rule can lead to misjudgement of the importance of normal modes in the inelastic profiles when the detailed information about the current density is not considered.