Electronic transport properties of helical macromolecular chains using dihedral orbital model

By applying the non-equilibrium Green’s function method, in combination with the dihedral orbital model, we have theoretically investigated quantum transport properties of organic molecular chains, focusing on the effects of the helical rotation of the chains. The transmission coefficient, the electronic current, as well as the current shot noise were calculated. It was found that the helical rotation modifies the transport properties profoundly. It leads to a diminishing and roughly periodical oscillatory behaviour of both the current and shot noise power.