Electronic States in Doped trans-Polyacetylene -Coherent Potential Approximation and Compensated Doping-
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Disorder effects in doped 7rozv-polyacetylene are studied, using an extendedTakayama -Lin-Liu -Maki (TLM) model. Bond- and site-type impurity models areanalyzed when the doping is compensated. Electronic states are calculated by the selfconsistent Born approximation (SCBA) and also by the coherent potential approximalion (CPA). Results do not depend on the type of the impurity. We find that peaks inthe electronic density of states become steeper and the energy gap is wider in the CPAthan in the SCBA, while change in the order parameter is small. Two critical concentrations, where the gap and the order parameter vanish, come close each other. Aphase diagram is given for the electronic structures in the CPA. For the site-type impurities, two impurity bands are found in association with the two signs of impurities.For the bond-type impurities, the total energy recovers the symmetry property for theorder parameter.Ipolyacetylene, doping, disorder, coherent potential approximation, CPA, elec- ll ironic states, density of states, theoryl
- 社団法人日本物理学会の論文
- 1990-04-15