Theoretical studies on the conductance of polyaniline chains

We investigate the electrical transport properties of polyaniline chains. On the basis of available band structure data, we construct an empirical tight-binding Hamiltonian of the respective molecules. From the so-derived parameters we are able to obtain the scattering properties of the system. These scattering coefficients determine the transmission through the sample required to calculate the conductance of the chain within the Landauer-Buttiker approach. (C) 1995 American Institute of Physics.