Polaron versus bipolaron in conducting polymers: a density matrix renormalization group study

Details Polaron versus bipolaron in conducting polymers: a density matrix renormalization group study Polaron versus bipolaron in conducting polymers: a density matrix renormalization group study

1998-03-18

arxiv.org/abs/cond-mat/9803222v1

Physics

Condensed Matter

Strongly Correlated Electrons

4 pages, RevTeX, 3 eps figures. To appear in Journal of the Physical Society of Japan

Scientific paper

10.1143/JPSJ.67.1521

Competition between polaron and bipolaron inconjugated polymers with nondegenerate ground state is systematically studied in the extended Hubbard-Peierls model with the symmetry-breaking Brazovskii-Kirova term, using the density matrix renormalization group method combined with lattice optimization in the adiabatic approximation. We demonstrate that the relative stability of a bipolaron over two separated polarons sensitively depends on both on-site Hubbard $U$ and nearest-neighbor repulsion $V$. When $U$ is much larger than $V$, the bipolaron state is more stabilized compared with mean field calculations.

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