Impurity enhancement of hopping parameters in conducting polymers

Abstract
The interchain and on-chain hopping parameters for polyacetylene, heavily doped with one of the alkali metals, have been corrected for the potential due to the dopant ions. We find that the on-chain hopping is enhanced by ∼10% in the neighborhood of a dopant, which is of the same order as the modulation of the uniform-chain value (2.5 eV) by the dimerization. The interchain hopping for adjacent orbitals on nearest-neighbor chains is enhanced by ∼100% in the neighborhood of a dopant; thus the dopants may act as ‘‘bridges’’ for interchain transport.