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Changes in the band structure of a simple polymer on lowering the translational symmetry
Authors:D A Morton-Blake
Institution:(1) Department of Chemistry, Trinity College, Dublin 2, Ireland
Abstract:By combining the one-dimensional ldquocrystal orbitalsrdquo of a simple polymer under the action of a perturbation which extends the repeating segment from one site to n sites a perturbation method allows the band structure of the new chain to be calculated. As well as estimating the band gaps to a fairly good agreement with the results of the ldquodirectrdquo method the present technique shows how specific gaps created by the symmetry-lowering will respond to the characteristics of the perturbations imposed.
Keywords:Polymer orbitals  Periodic perturbations  Band structure
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