Highly doped nondegenerate conjugated polymers - a theory using the DMRG method

摘要

Highly doped conjugated polymers with non-degenerate ground state are investigated theoretically using the density matrix renormalization group method. We point out the crossover between polaron- and bipolaron-lattices via the formation of polaron-pairs. We also indicate that at high doping concentration the gaps in charge and spin excitations become negligibly small while the bond alternation still survives. [References: 6]