IR excitation spectra of low dimensional CT crystals: Multidimensional linear response theory approach

Abstract

Abstract The effects of electron-phonon (e-ph) coupling in the infrared (IR) excitation spectra of low-dimensional charge transfer crystals are investigated through multidimensional, mean-field linear response theory. This very general approach enables one to take into account simultaneously different types of e-ph coupling, showing how the vibrational modes are indirectly mixed through their common interaction with charge-transfer and/or localized electrons. The somewhat unexpected consequences of this mixing are illustrated by the spectral simulation of two simple model systems.