Skip to main content
SpringerLink
Log in

Electronic Properties of Heavily Doped Trans-Polyacetylene

  • Chapter
Conjugated Polymers

Abstract

The structural and electronic properties of heavily doped trans-polyacetylene are studied using a total Hamiltonian consisting three terms: 1) the Su-Schrieffer-Heeger Hamiltonian, 2) an external potential term due to electrostatic interactions between electrons of the polymer chain and counterions and charges on neighboring chains, and 3) a term describing the intra-chain electron-electron interactions. The effects of weak disorder in the positions of the counterions are also studied. At all doping levels included in this study, the ground state configuration is a soliton lattice. The energy gap around the Fermi energy and the density of states at the Fermi energy are calculated. A low bandgap system is obatined in the case of weak disorder at doping levels above 8%. The electronic properties of the polaron lattice are also calculated. Previously reported experimental results and theoretical models for the metallic state of heavily doped trans-polyacetylene are reviewed and discussed in comparison with the results obtained in this study.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 169.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 219.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 219.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Su, W.P., Schrieffer, J. R., and A.J. Heeger (1979) “Solitons in Polyacetylen” Phys. Rev. Lett 42, 1698–1701

    Article  CAS  Google Scholar 

  2. Su, W.P., Schrieffer, J. R., and Heeger, A.J. (1980) “Soliton excitations in Polyacetylene” Phys. Rev. B 22, 2099–2111.

    Article  CAS  Google Scholar 

  3. Pople, J. A. and Walmsley, S. H. (1962) “Bond Alternation Defetcs in Long Polyene Molecules” Mol. Phys. 5, 15–20.

    Article  CAS  Google Scholar 

  4. Suzuki, N., Ozaki, M., Etemad, S., Heeger, A. J., and MacDiarmid, A. G. (1980) “Solitons in Polyacetylene: Effects of Dilute Doping on Optical Absorption Spectra” Phys. Rev. Leu. 45, 1209–1213.

    Article  CAS  Google Scholar 

  5. Orenstein, J., and Baker, G. L. (1982)“Photogenerated Gap States in Polyacetylene” Phys. Rev. Lett. 49, 1043–1046.

    Article  CAS  Google Scholar 

  6. Tavan P., and Schulten, K. (1987)“Electronic Excitations in Finite and Infinite Polyenes” Phys. Rev. B 36, 4337–4358.

    Article  CAS  Google Scholar 

  7. Feldblum, A., Kaufman, J. H., Etemad, S., Heeger, A. J., Chung, T.-C., and MacDiarmid, A. G. (1982) “Opto-electrochemical Spectroscopy of Trans-(CH)x” Phys. Rev. B 26, 815–826.

    Article  CAS  Google Scholar 

  8. Yang, X. Q., Tanner, D. B., Rice, M. J., Gibson, H. W., Feldblum, A., and Epstein, A. J. (1987) “Transition to a Gapless Peierls Insulator in Heavily-Doped Polyacetylene” Solid State Commun. 61, 335–340.

    Article  CAS  Google Scholar 

  9. Ikehata, S., Kaufer, J., Woerner, T., Pron, A., Druy, M. A., Sivak, A., Heeger, A. J., and MacDiarmid, A. G. (1980) “Solitons in Polyacetylenc: Magnetic Susceptibility” Phys Rev. Lett. 45, 1123–1126.

    Article  CAS  Google Scholar 

  10. Chung, T.-C., Moraes, F., Flood, J. D., and Heeger, A. J. (1984) “Solitons at High Density in Trans-(CH)x: Collective Transport by Mobile Spinless, Charged Solitons” Phys. Rev. B 29, 2341–2343.

    Article  CAS  Google Scholar 

  11. Park, Y. W., Denenstein, A., Chiang, C. K., Heeger, A. J., and MacDiarmid, A. G. (1979) “Semiconductor-Metal transition in Doped (CH)x: Thermoelectric Power” Solid State Commun. 29, 747–751.

    Article  CAS  Google Scholar 

  12. Moraes, F., Chen, J., Chung, T.-C., and Heeger, A. J. (1985) “First-Order Transition to a Novel Metallic State in [Na +y (CH)-y]x: In Situ Electron Spin Resonance During Chemical and Electrochemical Doping” Synth. Met. 11, 271–292.

    Article  CAS  Google Scholar 

  13. Chen, J., and Heeger, A. J. (1988) “In Situ Electron Spin Resonance Experiments on Polyacetylene during Electrochemical Doping” Synth. Met. 24, 311–327.

    Article  CAS  Google Scholar 

  14. Tanner, D. B., Doll, G., Rao, K., Yang, M. H., Eklund, C., Arbuckle, G., and MacDiarmid, A.G. (1987) “Infrared Absorption in K-Doped (CH)x” Bull. Am. Phys. Soc. 32, 422.

    Google Scholar 

  15. D. B. Tanner, G. L. Doll, A. M. Rao, P. C. Eklund, G. A. Arbuckle, and A.G. MacDiarmid (1989) “Infrared Absorption in K-Doped (CH)x”, Synth Met. 28, D141–146.

    Article  CAS  Google Scholar 

  16. Mele, E. J. and Rice, M. J. (1981) “Semiconductor-Metal Transition in Doped Polyacetylene” Phys. Rev. B 23, 5397–5412.

    Article  CAS  Google Scholar 

  17. Harigaya, K. and Terai, A. (1991) “On a Metal-Insulator Transition of Disordered Conducting Polymers” Solid State Commun., in print.

    Google Scholar 

  18. Kivelson, S. and Heeger, A. J. (1985) “First Order Transition to a Metallic State in Polyacetylene: A Strong-coupling Polaronic Metal.” Phys. Rev. Lett. 55, 308–311.

    Article  CAS  Google Scholar 

  19. Choi, H.-Y. and Mele, E. J. (1986) “Dynamical Conductivity of Soliton Lattice and Polaron lattice in the Continuum Model of Polyacetylene” Phys. Rev. B 34, 8750–8757.

    Article  Google Scholar 

  20. Fink, J., Nücker, N., Scheerer, B., v. Felde, A., and Leising, G. (1987) in H. Kuzmany, M. Mehring, and S. Roth (eds.) “Electronic Properties of Conjugated Polymers, Springer Series in Solid State Sciences No. 76, Springer, Berlin, pp. 84.

    Google Scholar 

  21. Tabor, S. and Stafström, S. (1991), submitted for publication.

    Google Scholar 

  22. Stafström, S., and Brédas, J.-L. (1988) “Evolution of the Electronic Structure of Polyacetylene and Polythiophene as a Function of Doping Level and Lattice Conformation” Phys. Rev. B 38, 4180–4191.

    Article  Google Scholar 

  23. Stafström, S., Brédas, J. L., Epstein, A. J., Woo, H. S., Tanner, D. B., Huang, W. S., and MacDiarmid A. G. (1987) “Polaron Lattice in Highly Conducting Polyaniline: Theoretical and Optical Studies” Phys. Rev. Lett. 59, 1464–1467.

    Article  Google Scholar 

  24. Conwell, E. M. and Jeyadev, S. (1988) “Insulator-Metal Transition in Trans-Polyacetylene” Phys. Rev. Lett 61, 361–364.

    Article  CAS  Google Scholar 

  25. Conwell, E. M., Mizes, H. A., and Jeyadev, S. (1989) “Metal-Insulator Transition in Trans-Polyacetylene” Phys. Rev. B 40, 1630–1641.

    Article  CAS  Google Scholar 

  26. Stafström, S. (1991) “Soliton Lattice in Highly Doped Trans-Polyacetylene”, Phys. Rev. B, in press

    Google Scholar 

  27. Takayama, H., Lin-Liu, Y. R., Maki, K. (1980) “Continuum Model for Solitons in Polyacertylene” Phys. Rev. B 39, 2388–2393.

    Article  Google Scholar 

  28. Dinter, M. “Semiconductor-Quasimetal Transition of Heavily Doped Trans-Polyacetylene.” Phys Rev. B 39, 8423–8433.

    Google Scholar 

  29. Bryant, G. W. and Glick, A. J. (1982) “Impurity States in Doped trans-Polyacetylene” Phys. Rev. B 26, 5855–5866.

    Article  CAS  Google Scholar 

  30. Bulka, B.R. (1988) “Ground State of Doped Polyacetylene” Synth. Met. 24, 41.

    Article  CAS  Google Scholar 

  31. Takahashi, A. and Fukutome, H. (1989) “Effects of Dopant Ions on Solitons in Polyacetylene” Synth. Met. 28, D469–D475.

    Article  CAS  Google Scholar 

  32. Stafström, S. and Chao, K.A. (1984) “Exact Numerical Investigation of the PolaronSoliton Generation in Polyacetylene” Phys Rev. B 29, 7010–7011.

    Article  Google Scholar 

  33. Winokur, M., Moon, Y. B., Heeger, A. J., Barker, J., Bott, D. C., and Shirakawa, H. (1987) “X-Ray Scattering from Sodium-Doped Polyacetylene: Incommensurate-Commensurate and Order-Disorder Transformations” Phys. Rev. Lett. 58, 2329–2332.

    Article  CAS  Google Scholar 

  34. Murthy, N. S., Shacklette, L. W., and Baughman, R. H. (1989) “Structure of Lithium-Doped Polyacetylene” Phys. Rev. B 40, 12550–12553.

    Article  CAS  Google Scholar 

  35. Chen, D., Winokur, M. J., Masse, M. A., and Karasz, F. E. (1990) “Structural Phases of Sodium-Doped Polyparaphenylene vinylene” Phys. Rev. B 41, 6759–6767.

    Article  CAS  Google Scholar 

  36. Jackson, J.D. (1975) Classical Electrodynamics, Wiley & Sons, New York.

    Google Scholar 

  37. Fukutome H. and Sasai, M. (1983) “Theory of Electronic Structures and Lattice Distortions in Polyacetylene and Itinerant Peierls Systems. II” Prog. Theor. Phys. 69, 1–19.

    Article  CAS  Google Scholar 

  38. Stafström, S. and Chao, K.A. (1984) “Polaron-Bipolaron-Soliton Doping in Polyacetylene” Phys Rev. B 30, 2098–2103.

    Article  Google Scholar 

  39. Brazovskii, S. A. and Kirova, N. (1981) “Excitons, Polarons, and Bipolarons in Conducting Polymers” Soy. Phys. JEPT Lett. 33, 4–8.

    Google Scholar 

  40. Fredriksson, C. and Stafström, S. (1991) unpublished results.

    Google Scholar 

  41. Haydock, R. (1978) “Study of a Mobility Edge be a New Perturbation Theory” Philos. Mag. B 37, 97–109.

    Article  CAS  Google Scholar 

  42. Peierls, R. E. (1955) Quantum Theory of Solids, Clarendon, Oxford, Chap. 5.

    Google Scholar 

  43. Delhalle, J. and Calais, J.-L. (1987) “Direct-Space Analysis of the Hartree-Fock Bands and Density of States for Metallic Extended Systems” Phys. Rev. B 35, 9460–9466.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Physics, IFM, Linköping University, S-581 83, Linköping, Sweden

    S. Stafström

Authors
  1. S. Stafström
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Laboratory for Chemistry of Novel Materials, University of Mons-Hainaut, Mons, Belgium

    J. L. Brédas

  2. Department of Chemistry, Massachusetts Institute of Technology, Cambridge, USA

    R. Silbey

Rights and permissions

Reprints and permissions

Copyright information

© 1991 Springer Science+Business Media Dordrecht

About this chapter

Cite this chapter

Stafström, S. (1991). Electronic Properties of Heavily Doped Trans-Polyacetylene. In: Brédas, J.L., Silbey, R. (eds) Conjugated Polymers. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-3476-7_3

Download citation

  • DOI: https://doi.org/10.1007/978-94-011-3476-7_3

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-5536-9

  • Online ISBN: 978-94-011-3476-7

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation