Hostname: page-component-7b7567c8c-2n9c9 Total loading time: 0 Render date: 2026-11-15T13:08:31.670Z Has data issue: false hasContentIssue false
  • English
  • Français

Energy Band Structure for Metallic Polyacetylene

Published online by Cambridge University Press:  25 February 2011

Chizuko Tanaka and
Jiro Tanaka
Chizuko Tanaka
Affiliation:
Department of Chemistry, Faculty of Science, Nagoya University, Chikusa, Nagoya, 464–01, Japan
Jiro Tanaka
Affiliation:
Department of Chemistry, Faculty of Science, Nagoya University, Chikusa, Nagoya, 464–01, Japan
Get access

Abstract

The optimized molecular structures of doped polyacetylene model compounds are studied by the ab initio SCF MO method. The calculated structures are assigned to polaron, charged soliton and poison unit. The one dimensional energy band structures of the charged soliton-antisoliton and the polson-antipolson lattices are investigated. The latter one gives a quasi-metallic energy band. The results of the energy band calculation are consistent with the electrical properties and ultraviolet photoemission spectra of the doped polyacetylene.

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

Article purchase

Temporarily unavailable

References

REFERENCES

1. Naarmann, H. and Theophilou, N., Synth. Metals, 22, 1 (1987).Google Scholar
2. Tsukamoto, J., Takahashi, A. and Kawasaki, K., Jpn. J. Appl. Phys. 29, 125 (1990).Google Scholar
3. Tanaka, J., Saito, Y., Shimizu, M., Tanaka, C. and Tanaka, M., Bull. Chem. Soc. Jpn. 60, 1595 (1987).Google Scholar
4. Kamiya, K. and Tanaka, J., Synth. Metals, 25, 59 (1988).Google Scholar
5. Hasegawa, S., Oku, M., Shimizu, M. and Tanaka, J., Synth. Metals, 38, 37 (1990).Google Scholar
6. Chung, T. C., Moraes, F., Flood, J. D. and Heeger, A. J., Phys. Rev. Lett. 29, 2341 (1984).Google Scholar
7. Kamiya, K. and Miyamae, T. et al. (unpublished result)Google Scholar