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Cooperative and non-linear phenomena at the neutral-ionic phase transition

Anna Painelli·Luca Del Freo·Zoltan G. Soos
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Abstract

The complex interplay among on-site energy, Hubbard U, and coupling to Holstein and Peierls phonons at the neutral-ionic phase transition is discussed using diagrammatic valence bond calculations. The charge transfer and dimerization amplitudes and the infrared intensity of molecular vibrations are studied in the transition region.

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Anna Painelli, Luca Del Freo, Zoltan G. Soos. 2001-12-10. Cooperative and non-linear phenomena at the neutral-ionic phase transition. https://arxiv.org/abs/cond-mat/0112161

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