Abstract
The structural and electronic properties of heavily doped trans-polyacetylene are calculated using a total Hamiltonian including the Su-Schrieffer-Heeger Hamiltonian, a potential term due to intra- and interchain electron- electron interactions as well as electron-counterion interactions, and, finally, an interchain electron hopping term. At all doping levels included in this study, the ground state configuration is that of a soliton lattice. The electronic gap and the density of states at the Fermi energy are calculated as a function of the doping level. The results of these calculations show that a metallic state of doped trans-polyacetylene is obtained at doping levels above ~ 7%.
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© 1992 Springer-Verlag Berlin Heidelberg
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Stafström, S. (1992). The Metallic State of Heavily Doped Trans-Polyacetylene. In: Kuzmany, H., Mehring, M., Roth, S. (eds) Electronic Properties of Polymers. Springer Series in Solid-State Sciences, vol 107. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-84705-9_2
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DOI: https://doi.org/10.1007/978-3-642-84705-9_2
Publisher Name: Springer, Berlin, Heidelberg
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