MOLECULE-INTERFACE COUPLING EFFECTS ON ELECTRONIC TRANSPORT IN MOLECULAR WIRES

Transport studies of molecular wire circuits require a description of the molecule and the leads. Here we focus on the molecule-lead interac tion. We extend a time-independent scattering formalism to include a m ore realistic description of the interface. This allows us to obtain t he conductance as a function of dimensionality of contact and of elect rode, number of contacts, and geometry between molecule and interface. We study conductance in adlayers of molecules by considering transpor t through two identical wires. Implications for experiments are discus sed. (C) 1998 American Institute of Physics.