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

Shin Ichirou Hayashi; Yuriko Aoki; Akira Imamura

doi:10.1016/0379-6779(90)90229-E

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

Shin Ichirou Hayashi, Yuriko Aoki, Akira Imamura

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

The band structures of dopant-polymer systems for poly(monofluoro-acetylene), (C₂FH)_x, and poly(monohydroxyyacetylene), (C₂H(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.

Original language	English
Pages (from-to)	1-25
Number of pages	25
Journal	Synthetic Metals
Volume	36
Issue number	1
DOIs	https://doi.org/10.1016/0379-6779(90)90229-E
Publication status	Published - May 1990
Externally published	Yes

All Science Journal Classification (ASJC) codes

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

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abstract = "The band structures of dopant-polymer systems for poly(monofluoro-acetylene), (C2FH)x, and poly(monohydroxyyacetylene), (C2H(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.",

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AB - The band structures of dopant-polymer systems for poly(monofluoro-acetylene), (C2FH)x, and poly(monohydroxyyacetylene), (C2H(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.

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