The Metallic State of Heavily Doped Trans-Polyacetylene

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%.