Abstract

Charge transfer in the mixed-valence trimer TTFIATTF is discussed. Three basis functions are introduced to describe neutral and ionic states as the hole residing on IA and TTF molecules, respectively. Charge carrier coupling to intramolecular vibrations is taken into account. Ground state charge distribution is analysed as a function of small polaron binding energies and transfer integral between TTF and IA sites. The results are used to discuss the experimental data on (TTF) 2IA crystal.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call