Bond Alternation in Halogen Substituted Polyacetylene : Possibility of C-F Bond Length Alternation in (CF)x : Condensed Matter and Statistical Physics

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概要

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• Using the Huckel model, we study the π electronic and lattice structures of the ground state of halogen substituted polyacetylene (CX)x where X is F, Cl, Br or I. The halogen substitution always makes the C-C bond length alternation in the main chain and the corresponding band gap smaller than those in unsubstituted polyacetylene (CH)x. (CCI)x, (CBr)x and (CI)x have only the bond alternation in the main chain. (CF)x may take one of the three lattice structures depending on the value of the C-F σ bond force constant; the structure with the bond alternation in the main chain, the one with the bond length alternation in the C-F bonds and the one with coexistence of the two kinds of bond alternation. The structure with the C-F bond length alternation is ferroelectric.

• 理論物理学刊行会の論文
• 1985-08-25

著者

• FUKUTOME Hideo

  Department of Physics, Kyoto University

• Fukutome Hideo

  Department Of Physics Faculty Of Science Kyoto University

• Sasai M

  Inst. Molecular Science Okazaki

• Sasai Masaki

  Department Of Applied Physics Nagoya University

• Sasai Masaki

  Department Of Applied Physics Grad. Sch. Of Engineering Nagoya University

• Abdelaty Shokry

  Department of Physics, Kyoto University

• SASAI Masaki

  Institute for Molecular Science

• Abdelaty Shokry

  Department Of Physics Kyoto University

• FUKUTOME Hideo

  Department of Physics, Faculty of Science, Kyoto University

• FUKUTOME Hideo

  Department of Physics, Kyoto Unversity

• FUKUTOME Hideo

  Deoartment of Physics, Kyoto University

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