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, 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.
Giant infrared intensity of the Peierls mode at the neutral-ionic transition / DEL FREO, Luca; Painelli, Anna; Soos, Z. G.. - In: PHYSICAL REVIEW LETTERS. - ISSN 0031-9007. - 89:(2002), pp. 27402-1-27402-4. [10.1103/PhysRevLett.89.027402]
Giant infrared intensity of the Peierls mode at the neutral-ionic transition
DEL FREO, Luca;PAINELLI, Anna;
2002-01-01
Abstract
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, 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
