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 crystal orbitals 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 direct 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 |
本文献已被 SpringerLink 等数据库收录! |