Abstract
Studies of the effect of oxygen on p-type polyacetylene suggest that the decrease of conductivity σ is due to the introduction of carbonyl functionalities. We have developed a tight-binding formalism for the analytic calculation of the transmission T of electrons and holes through single and multiple carbonyl (CO) defects on a dimerized chain. Directly transmitting a wave packet through a defect on a tight-binding lattice allows a calculation of T for a soliton lattice, which cannot be treated analytically. We find the conductivity varies exponentially with the oxygen uptake so long as the band structure is maintained.
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