A study using a through-space/bond interaction analysis for the band structures of substituted polyacetylene-Be systems

The band structures of dopant-polymer systems for poly(monofluoro-acetylene), (C 2FH) x , and poly(monohydroxyyacetylene), (C 2H(OH)) x , have been studied using the through-space/bond interaction analysis. It was found that these systems have small band gaps when Be atoms are used as dopants. These...

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Bibliographic Details
Published in:Synthetic metals 1990-05, Vol.36 (1), p.1-25
Main Authors: Hayashi, Shin-Ichirou, Aoki, Yuriko, Imamura, Akira
Format: Article
Language:English
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Summary:The band structures of dopant-polymer systems for poly(monofluoro-acetylene), (C 2FH) x , and poly(monohydroxyyacetylene), (C 2H(OH)) x , have been studied using the through-space/bond interaction analysis. It was found that these systems have small band gaps when Be atoms are used as dopants. These small gaps are caused by the band constructed mainly from the orbital of the Be atoms, and the band of Be atoms appears among the band gap of the polymer systems; these band structures are similar to those of the n-type semiconductors. The features of these donor bands near the band gaps are discussed in terms of the through-space/bond interactions by using variational and perturbational methods. Finally, in connection with these systems, a new switching system is proposed.
ISSN:0379-6779
1879-3290
DOI:10.1016/0379-6779(90)90229-E