Abstract
Abstract Neutral-ionic transition under pressure in a 2:1 charge transfer crystal of tetrathiafulvalene (TTF) and iodanil (IA) is disscussed using a model of mixed-valence trimer with explicit consideration of electron-intermolecular vibration coupling. Ground state charge distribution in the TTF-IA-TTF trimer is analysed as a function of small polaron binding energies and transfer integral.
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