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Effect of symmetry lowering on the band structure of polyacetylene

✍ Scribed by D. A. Morton-Blake

Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
634 KB
Volume
18
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

In an attempt to apply band‐structure calculations to polymers with β€œreduced” symmetries, and simultaneously to examine some of the causes of band gaps in semiconducting polymers, two types of symmetry reduction are applied on the all‐trans polyacetylene chain. Using a neighboring‐segment approximation the consequent perturbations were used to calculate changes to the band structure of the undistorted chain and the energy gaps compared with those obtained from a direct calculation on the distorted polymer.

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