Abstract
The pressure-induced neutral-ionic transition of TTF-DMDCNQI complex is analyzed by using a simple dimer model with electron-intramolecular vibration coupling. The coupling is shown to be responsible for a sharp neutral-ionic phase transition and characteristic hysteresis in the degree of ionicity dependence upon pressure in this complex. Ground state charge distribution is calculated as a function of small-polaron binding energies and transfer integral between donor and acceptor sites.
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