Phys. Rev. Lett. 89, 027402 (2002) [4 pages]Giant Infrared Intensity of the Peierls Mode at the Neutral-Ionic Phase TransitionReceived 28 November 2001; published 19 June 2002 We present exact diagonalization results on a modified Peierls-Hubbard model for the neutral-ionic phase transition. The ground state potential energy surface and the infrared intensity of the Peierls mode point to a strong, nonlinear electron-phonon coupling, with effects that are dominated by the proximity to the electronic instability rather than by electronic correlations. The huge infrared intensity of the Peierls mode at the ferroelectric transition is related to the temperature dependence of the dielectric constant of mixed-stack organic crystals. © 2002 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.89.027402
DOI:
10.1103/PhysRevLett.89.027402
PACS:
78.30.Jw, 63.20.Kr, 74.25.Kc
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