Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2002-02-20
Physics
Condensed Matter
Strongly Correlated Electrons
4 pages, 4 figures
Scientific paper
10.1103/PhysRevLett.89.027402
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.
Freo Luca Del
Painelli Anna
Soos Zoltán G.
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