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Changes in the band structure of a simple polymer on lowering the translational symmetry (1982)

Morton-Blake, D. A.

Springer

Theoretical chemistry accounts 61 (1982), S. 193-202

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ISSN: 1432-2234

Keywords: Polymer orbitals ; Periodic perturbations ; Band structure

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: 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.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1007/BF00549144

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