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On the Theoretical Models for Polyacetylene

  • Conference paper
Physics of Intercalation Compounds

Part of the book series: Springer Series in Solid-State Sciences ((SSSOL,volume 38))

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Abstract

The theoretical work on the electronic structure of hydrocarbon chains dates back to the early days of quantum mechanics when the molecular orbital approach was introduced to deal with the extended wavefunctions of the π -electrons [1]. But only in 1959 was it clearly demonstrated that this scheme led to a ground state with alternating bond lengths and an electronic gap at the Fermi surface [2]. It was also recognized that simple defect structures, “bond-alternation defects”, could exist as kinds of domain-walls between the two degenerate dimerization patterns [3]. The singly occupied local orbital associated with such a defect was proposed to give rise to the Curie-type magnetic susceptibility observed experimentally[4].

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Author information

Authors and Affiliations

  1. Laboratories RCA Ltd., CH-8048, Zürich, Switzerland

    D. Baeriswyl

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  1. D. Baeriswyl
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Editor information

Editors and Affiliations

  1. Brown Boveri Research Center, CH-5405, Baden-Dättwil, Switzerland

    Luciano Pietronero

  2. International School for Advanced Studies, Strada Costiera 11, I-34014, Trieste, Italy

    Erio Tosatti

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© 1981 Springer-Verlag Berlin Heidelberg

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Baeriswyl, D. (1981). On the Theoretical Models for Polyacetylene. In: Pietronero, L., Tosatti, E. (eds) Physics of Intercalation Compounds. Springer Series in Solid-State Sciences, vol 38. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-81774-8_16

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  • DOI: https://doi.org/10.1007/978-3-642-81774-8_16

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-81776-2

  • Online ISBN: 978-3-642-81774-8

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