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Spin-Peierls vs Peierls distortions in a family of conjugated polymers
García Bach, Ma. de los Ángeles; Valentí i Vall, M. Roser; Klein, D. J.
Universitat de Barcelona
Distortions in a family of conjugated polymers are studied using two complementary approaches: within a many-body valence bond approach using a transfer-matrix technique to treat the Heisenberg model of the systems, and also in terms of the tight-binding band-theoretic model with interactions limited to nearest neighbors. The computations indicate that both methods predict the presence or absence of the same distortions in most of the polymers studied.
Química física
Physical chemistry
(c) The American Physical Society, 1997
The American Physical Society

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