Abstract:
We perform empirical calculations of the tunneling
current through various small organic molecules sandwiched
between gold electrodes by using the Wenzel-Kramers-
Brillouin (WKB) approximation. The barrier to tunneling is
taken to be the work function of gold and calculated from a
first principles electronic structure code. The current-voltage
characteristics of these molecules are compared in the context
of existing first principles and experimental results. In this
model the surface dipole moment, induced by the adsorbed
molecule, can have a significant effect on the current and hence
dipole moments may be an important property for prediction
of the conductance characteristics of a molecule.
