Giant infrared intensity of the Peierls mode at the neutral-ionic phase transition

Abstract

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, non-linear 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.

4 pages, 4 figures

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Cited by in corpus (16)

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• Electronic and Lattice Dynamics in The Photoinduced Ionic-to-Neutral Phase Transition in a One-Dimensional Extended Peierls-Hubbard Model
• Direct evidence of overdamped Peierls-coupled modes in TTF-CA temperature-induced phase transition
• Intermediate regime in Tetrathiafulvalene-Chloranil (TTF-CA) pressure-induced neutral-ionic transition
• Anomalous dispersion of optical phonons at the neutral-ionic transition: Evidence from diffuse X-ray scattering
• Phase Transition in a One-Dimensional Extended Peierls-Hubbard Model with a Pulse of Oscillating Electric Field: I. Threshold Behavior in Ionic-to-Neutral Transition
• Modeling the spin-Peierls transition of spin-$1/2$ chains with correlated states: $J_1-J_2$ model, CuGeO${}_3$ and TTF-CuS${}_4$C${}_4$(CF${}_3$)${}_4$
• Effects of Lattice and Molecular Phonons on Photoinduced Neutral-to-Ionic Transition Dynamics in Tetrathiafulvalene-$p$-Chloranil
• Bond order wave (BOW) phase of the extended Hubbard model: Electronic solitons, paramagnetism, coupling to Peierls and Holstein phonons
• Study of the ionic Peierls-Hubbard model using density matrix renormalization group methods
• 1:1 alkali-TCNQ salts and the bond order wave (BOW) phase of half-filled linear Hubbard-type models
• External Electric Field Mediated Quantum Phase Transitions in One-Dimensional Charge Ordered Insulators: A DMRG Study