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 .
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
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).
A.J. Heeger, S. Kivelson, J. R. Schrieffer, and W-P. Su, Rev. Mod. Phys. 60, 781 (1988).
D. Baeriswyl, D.K.Campbell, and S. Mazumdar, in Theory of Pi- Conjgated Polymers, edited by H. Kiess (Springer, Heidelberg, 1989), in press.
Lu Yu, Solitons and Polarons in Conducting Polymers, ( World Scientific, Singapore, 1988 ).
A. A. Ovchinnikov and I. I. Ukrainskii, Sov. Sci. Rev. B. Chem. 9, 125 (1987).
S. A. Brazovskii and N. N. Kirova, Sov. Sci. Rev. A, Phys. 5, 100 (1984).
Theory of the Inhomogeneous Electron Gas, ed. by S. Lundquist and N.H. March (Plenum, New York, 1983), and references therein.
D.R. Hamann, M. Schlüter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).
J. Ihm, A. Zunger, M.L. Cohen, J. Phys. C 12, 4409 (1979).
O. Gunnarson and R.O. Jones, Physica Scripta 21, 394 (1980).
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).
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).
J. Callaway and N. H. March, Solid State Physics 38, 136 (1984).
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.
S. B. Trickey, F. R. Green, Jr., and F. W. Averill, Phys. Rev. B 8 4822 (1973).
G.S. Painter, Phys. Rev. B 24, 4264 (1981).
W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
O. Gunnarson and B.I. Lundquist, Phys. Rev. B 13, 4274 (1976).
P. Vogl, D.K. Campbell, and O. Sankey, Syn. Met. 28, D513 (1989).
P. Vogl and D. K. Campbell, Phys. Rev. Lett. 62, 2012 (1989).
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.
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.
H. Kahlert, O. Leitner, and G. Leising, Syn. Met. 17, 467 (1987).
C. R. Fincher, C.-E. Chen, A.J. Heeger, A. G. MacDiarmid, and J.B. Hastings, Phys. Rev. Lett. 48, 100 (1982).
R.H. Baughman and G. Moss, J. Chem. Phys. 27, 6321 (1982).
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).
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).
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.
D. Moses, A. Feldblum, E. Ehrenfreund, A. J. Heeger, T.C. Chung, and A. G. MacDiarmid, Phys. Rev. B 26, 3361 (1982).
D. Emin, in Handbook of Conducting Polymers, edited by T.A. Skotheim (Dekker, New York, 1986), Vol. 2, p. 915 and references cited therein.
D. Emin, Phys. Rev. B 33, 3973 (1986).
W.A. Harrison, Electronic structure and the Properties of Solids, ( Freeman, San Francisco, 1980 ).
J.A. Majewski and P. Vogl, Phys. Rev. B 35, 9666 (1987).
Yu. N. Gartstein and A. A. Zakhidov, Sol. State Comm. 62, 213 (1987); (erratum) ibid. 65, ii (1987).
K. Maki, Syn. Met. 9, 185 (1984).
J. C. Hicks and Y. R. Lin-Liu, Phys. Rev. B 30, 6184 (1984).
G. F. Köster and J. C. Slater, Phys. Rev 95, 1167 (1954); 96, 1208 (1954).
D.K. Campbell and A.R. Bishop, Phys. Rev. B 24, 4859 (1981).
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.
W.P. Su, in Handbook of Conducting Polymers, edited by T.A. Skotheim ( Dekker, New York, 1986 ), Vol. 2, p. 757.
S. Phillpot, D. Baeriswyl, A.R. Bishop, P. Lomdahl, Phys. Rev. B 35, 7533 (1987).
A.R. Bishop, D.K. Campbell, P.S. Lomdahl, B. Horovitz, and S.R. Phillpot, Phys. Rev. Lett. 52, 671 (1984).
R. Ball, W. P. Su, and J. R. Schrieffer, Jour. de Phys. Coll. 44, C3–429 (1982).
H.J.Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).
B. Ankele, G. Leising, and H. Kahlert, Solid State Comm. 62, 245 (1987).
T. Ito, H. Shirakawa, S. Ikeda, J. Polymer Sci. Polymer Ed. 12, 11 (1974).
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.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1989 Plenum Press, New York
About this chapter
Cite this chapter
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
Download citation
DOI: https://doi.org/10.1007/978-1-4613-0565-1_18
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4612-7869-6
Online ISBN: 978-1-4613-0565-1
eBook Packages: Springer Book Archive