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Part of the book series: NATO ASI Series ((NSSB,volume 213))

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Abstract

In a conference proceedings devoted to “interacting electrons in reduced dimensions” it might at first seem inappropriate to discuss a calculation of the full three-dimensional (3-D) structure of trans-polyacetylene [trans-(CH) x ]. This impression is only strengthened by the very extensive literature on one-dimensional (1-D) models of trans-(CH) x , much of it focusing on the seemingly more relevant—at least in the present context—issue of the relative importance of electron-electron (e-e) versus electron-phonon (e-p) interactions [for reviews, see1–6]. Nonetheless, as we hope will become apparent, the (often fairly small) interchain couplings that are present in the real solid state materials can alter profoundly expectations based on strictly 1-D models. For trans-(CH) x this is particularly the case. Thus, if nothing else, our contribution serves as a reminder that the issue of dimensionality can in fact be absolutely crucial in determining the properties of even highly anisotropic, “low”-dimensional materials, independent of which interactions appear to be dominant. To begin our discussion, we start from an analysis of the ground state of crystalline trans-(CH) x .

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References

  1. For the most recent in the series of conference proceedings reviewing all aspects of this and related issues, see Syn. Met. 27 (1988), 28 (1989), and 29 (1989).

    Google Scholar 

  2. A.J. Heeger, S. Kivelson, J. R. Schrieffer, and W-P. Su, Rev. Mod. Phys. 60, 781 (1988).

    Article  ADS  Google Scholar 

  3. D. Baeriswyl, D.K.Campbell, and S. Mazumdar, in Theory of Pi- Conjgated Polymers, edited by H. Kiess (Springer, Heidelberg, 1989), in press.

    Google Scholar 

  4. Lu Yu, Solitons and Polarons in Conducting Polymers, ( World Scientific, Singapore, 1988 ).

    Google Scholar 

  5. A. A. Ovchinnikov and I. I. Ukrainskii, Sov. Sci. Rev. B. Chem. 9, 125 (1987).

    Google Scholar 

  6. S. A. Brazovskii and N. N. Kirova, Sov. Sci. Rev. A, Phys. 5, 100 (1984).

    Google Scholar 

  7. Theory of the Inhomogeneous Electron Gas, ed. by S. Lundquist and N.H. March (Plenum, New York, 1983), and references therein.

    Google Scholar 

  8. D.R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).

    Article  ADS  Google Scholar 

  9. J. Ihm, A. Zunger, M.L. Cohen, J. Phys. C 12, 4409 (1979).

    Article  ADS  Google Scholar 

  10. O. Gunnarson and R.O. Jones, Physica Scripta 21, 394 (1980).

    Article  ADS  Google Scholar 

  11. The LDA or LSD A does not become exact in the limiting case of an hydrogen atom; the error in the wave function is very small however, as shown by O. Gunnarson, B.I. Lundquist, and J.W.Wilkins, Phys. Rev. B 10, 1319 (1974).

    Google Scholar 

  12. B. Delley, P.Becker, B.Gillon, J. Chem. Phys.80, 4286 (1984); B. Delley, A.J. Freeman, and D.E. Ellis, Phys. Rev. Lett. 50, 488 (1983).

    Article  ADS  Google Scholar 

  13. J. Callaway and N. H. March, Solid State Physics 38, 136 (1984).

    Article  Google Scholar 

  14. A discussion of recent work on structural properties with this method is given by, e.g., S. Fahy, S.G. Louie, Phys. Rev. B 36, 3373 (1987) and references therein.

    ADS  Google Scholar 

  15. S. B. Trickey, F. R. Green, Jr., and F. W. Averill, Phys. Rev. B 8 4822 (1973).

    Article  ADS  Google Scholar 

  16. G.S. Painter, Phys. Rev. B 24, 4264 (1981).

    Article  ADS  Google Scholar 

  17. W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).

    Article  ADS  MathSciNet  Google Scholar 

  18. O. Gunnarson and B.I. Lundquist, Phys. Rev. B 13, 4274 (1976).

    Article  ADS  Google Scholar 

  19. P. Vogl, D.K. Campbell, and O. Sankey, Syn. Met. 28, D513 (1989).

    Article  Google Scholar 

  20. P. Vogl and D. K. Campbell, Phys. Rev. Lett. 62, 2012 (1989).

    Article  ADS  Google Scholar 

  21. P. Vogl and D. K. Campbell, “First-Principles Calculations of the Three-Dimensional Structure and Intrinsic Defects in trans- Polyacetylene”, Phys. Rev. B, to appear.

    Google Scholar 

  22. J. P. Pouget, in Electronic Properties of Polymers and Related Compounds, edited by H. Kuzmany, M. Mehring, and S. Roth, ( Springer, Heidelberg, 1986), Springer Series in Solid State Sciences, Vol. 63, p. 26.

    Google Scholar 

  23. H. Kahlert, O. Leitner, and G. Leising, Syn. Met. 17, 467 (1987).

    Article  Google Scholar 

  24. C. R. Fincher, C.-E. Chen, A.J. Heeger, A. G. MacDiarmid, and J.B. Hastings, Phys. Rev. Lett. 48, 100 (1982).

    Article  ADS  Google Scholar 

  25. R.H. Baughman and G. Moss, J. Chem. Phys. 27, 6321 (1982).

    Article  ADS  Google Scholar 

  26. W.-P. Su, J.R. Schrieffer, and A.J.Heeger, Phys. Rev. Lett. 42, 1698 (1979); Phys. Rev. B 22, 2099 (1980); Phys. Rev. B 29, 2309 (1984).

    Article  ADS  Google Scholar 

  27. B. Horovitz, Phys. Rev B 12, 3174 (1975); D. Baeriswyl and K.Maki, Phys. Rev. B 28, 2068 (1983) and Syn. Met. 28 D507 (1989).

    Article  ADS  Google Scholar 

  28. G. Leising, R. Uitz, B. Ankele, W. Ottinger, and F. Stelzer, Mol. Cryst. Liqu. Cryst. 117, 327 (85); W. Ottinger, G. Leising, H. Kahlert, p. 63 in Electronic Properties of Polymers and Related Compounds, edited by H. Kuzmany, M. Mehring, and S. Roth, (Springer, Heidelberg, 1986), Springer Series in Solid State Sciences, Vol. 63.

    Google Scholar 

  29. D. Moses, A. Feldblum, E. Ehrenfreund, A. J. Heeger, T.C. Chung, and A. G. MacDiarmid, Phys. Rev. B 26, 3361 (1982).

    Article  ADS  Google Scholar 

  30. D. Emin, in Handbook of Conducting Polymers, edited by T.A. Skotheim (Dekker, New York, 1986), Vol. 2, p. 915 and references cited therein.

    Google Scholar 

  31. D. Emin, Phys. Rev. B 33, 3973 (1986).

    Article  ADS  Google Scholar 

  32. W.A. Harrison, Electronic structure and the Properties of Solids, ( Freeman, San Francisco, 1980 ).

    Google Scholar 

  33. J.A. Majewski and P. Vogl, Phys. Rev. B 35, 9666 (1987).

    Article  ADS  Google Scholar 

  34. Yu. N. Gartstein and A. A. Zakhidov, Sol. State Comm. 62, 213 (1987); (erratum) ibid. 65, ii (1987).

    Article  ADS  Google Scholar 

  35. K. Maki, Syn. Met. 9, 185 (1984).

    Article  Google Scholar 

  36. J. C. Hicks and Y. R. Lin-Liu, Phys. Rev. B 30, 6184 (1984).

    Article  ADS  Google Scholar 

  37. G. F. Köster and J. C. Slater, Phys. Rev 95, 1167 (1954); 96, 1208 (1954).

    Article  ADS  Google Scholar 

  38. D.K. Campbell and A.R. Bishop, Phys. Rev. B 24, 4859 (1981).

    Article  ADS  Google Scholar 

  39. R. Chance, D.S. Boudreaux, J.L. Bredas, and R. Silbey, in Handbook of Conducting Polymers, edited by T.A. Skotheim ( Dekker, New York, 1986 ), Vol. 2, p. 825.

    Google Scholar 

  40. W.P. Su, in Handbook of Conducting Polymers, edited by T.A. Skotheim ( Dekker, New York, 1986 ), Vol. 2, p. 757.

    Google Scholar 

  41. S. Phillpot, D. Baeriswyl, A.R. Bishop, P. Lomdahl, Phys. Rev. B 35, 7533 (1987).

    Article  ADS  Google Scholar 

  42. A.R. Bishop, D.K. Campbell, P.S. Lomdahl, B. Horovitz, and S.R. Phillpot, Phys. Rev. Lett. 52, 671 (1984).

    Article  ADS  Google Scholar 

  43. R. Ball, W. P. Su, and J. R. Schrieffer, Jour. de Phys. Coll. 44, C3–429 (1982).

    Google Scholar 

  44. H.J.Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).

    Article  ADS  MathSciNet  Google Scholar 

  45. B. Ankele, G. Leising, and H. Kahlert, Solid State Comm. 62, 245 (1987).

    Article  ADS  Google Scholar 

  46. T. Ito, H. Shirakawa, S. Ikeda, J. Polymer Sci. Polymer Ed. 12, 11 (1974).

    Article  ADS  Google Scholar 

  47. G. Leising, H. Kahlert, and O. Leitner, in Handbook of Conducting Polymers, edited by T.A. Skotheim, ( Dekker, New York, 1986 ), Vol. 1, p. 56.

    Google Scholar 

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© 1989 Plenum Press, New York

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Vogl, P., Campbell, D.K. (1989). Dimensionality Effects in trans-(CH) x . In: Baeriswyl, D., Campbell, D.K. (eds) Interacting Electrons in Reduced Dimensions. NATO ASI Series, vol 213. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-0565-1_18

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  • DOI: https://doi.org/10.1007/978-1-4613-0565-1_18

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