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Electronic structure of long chain polyenes in the Peierls-PPP model

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Zeitschrift für Physik B Condensed Matter

Abstract

On the basis of the semi-empirical Peierls-PPP Hamiltonian (i.e. the PPP Hamiltonian with electron-phonon coupling included) a theory of the electronic structure of long atomic chains with half filled bands has been worked out within the framework of the mean field approximation. The general theory is then applied to long chain polyenes. The results of the numerical analysis are in good agreement with those of other authors and show that the ground state of a long chain polyene is very likely not antiferromagnetic, but a charge density wave state with an associated Peierls distortion.

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Authors and Affiliations

  1. Institut für Strahlenchemie im Max-Planck-Institut für Kohlenforschung, Stiftstrasse 34-36, D-4330, Mülheim/Ruhr, Germany

    H. Barentzen & O. E. Polansky

  2. Institute for Organic Chemistry, Bulgarian Academy of Sciences, Sofia, Bulgaria

    N. Tyutyulkov & C. I. Ivanov

Authors
  1. H. Barentzen
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  2. O. E. Polansky
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  3. N. Tyutyulkov
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  4. C. I. Ivanov
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Barentzen, H., Polansky, O.E., Tyutyulkov, N. et al. Electronic structure of long chain polyenes in the Peierls-PPP model. Z. Physik B - Condensed Matter 38, 211–217 (1980). https://doi.org/10.1007/BF01315659

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  • DOI: https://doi.org/10.1007/BF01315659

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