Study of the electronic band structure of polyacetylene and the polyfluoroethylenes
- 7 March 1975
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 8 (5), 627-646
- https://doi.org/10.1088/0022-3719/8/5/010
Abstract
The LCAO-MT method recently applied by the authors to polyethylene is used with some improvements, to calculate electronic energy band structures, density of states profiles, and atomic electron populations for polyacetylene and the polyfluoroethylenes. Improved results for polyethylene are also presented. The calculated density of states profiles are shown to be in good overall agreement with available photoelectron spectra.Keywords
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