Polarons and bipolarons in conjugated polymers: a density matrix renormalization group study

Citation
M. Kuwabara et al., Polarons and bipolarons in conjugated polymers: a density matrix renormalization group study, SYNTH METAL, 101(1-3), 1999, pp. 395-396
Citations number
10
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SYNTHETIC METALS
ISSN journal
03796779 → ACNP
Volume
101
Issue
1-3
Year of publication
1999
Pages
395 - 396
Database
ISI
SICI code
0379-6779(199905)101:1-3<395:PABICP>2.0.ZU;2-8
Abstract
Relative stability between a polaron and a bipolarons in nondegenerate conj ugated polymers is investigated by the UHF and the density matrix renormali zation group (DMRG) methods in the extended Hubbard-Peierls model. Lattice distortion is optimized by using the Hellmann-Feynman condition. We show th at relative stability is very sensitive to electron correlation and that th e correlation effect stabilizes the bipolaron state in the case the on-site Hubbard U is much larger than nearest-neighbor V, Furthermore, a new mecha nism to stabilize bipolaron in strong V regime is suggested.