Abstract
The electronic structure of highly doped trans-polyacetylene is calculated for an optimized geometry of the polymer chain. The Hamilitonian applied to this system includes the Su-Schrieffer-Heeger Hamiltonian and potential terms describing intra- and inter chain electrostatic interactions. For all doping levels included in this study (up to 12%) the soliton lattice remains stable. The energy gap decreases rapidly in the doping regime 7%<y<10%, followed by a saturation above y≈10%. Including weak disorder in the positions of the dopant ions, the saturation level for the density of states at the Fermi energy is close to that obtained experimentally.
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