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Crystals 2017, 7(1), 17; doi:10.3390/cryst7010017

Infrared Investigations of the Neutral-Ionic Phase Transition in TTF-CA and Its Dynamics

Physikalisches Institut, Universität Stuttgart, Pfaffenwaldring 57, D-70550 Stuttgart, Germany
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Academic Editors: Anna Painelli and Alberto Girlando
Received: 30 November 2016 / Revised: 29 December 2016 / Accepted: 3 January 2017 / Published: 7 January 2017
(This article belongs to the Special Issue The Neutral–Ionic Phase Transition)

Abstract

The neutral-ionic phase transition in TTF-CA was investigated by steady-state and time-resolved infrared spectroscopy. We describe the growth of high-quality single crystals and their characterization. Extended theoretical calculations were performed in order to obtain the band structure, the molecular vibrational modes and the optical spectra along all crystallographic axes. The theoretical results are compared to polarization-dependent infrared reflection experiments. The temperature-dependent optical conductivity is discussed in detail. We study the photo-induced phase transition in the vicinity of thermally-induced neutral-ionic transition. The observed temporal dynamics of the photo-induced states is attributed to the random-walk of neutral-ionic domain walls. We simulate the random-walk annihilation process of domain walls on a one-dimensional chain. View Full-Text
Keywords: charge-transfer salts; TTF-CA; neutral-ionic phase transition; crystal growth; characterization; steady-state and transient infrared spectroscopy; vibrational spectroscopy; light-induced phase transition; domain-wall motion; random-walk simulations charge-transfer salts; TTF-CA; neutral-ionic phase transition; crystal growth; characterization; steady-state and transient infrared spectroscopy; vibrational spectroscopy; light-induced phase transition; domain-wall motion; random-walk simulations
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Dressel, M.; Peterseim, T. Infrared Investigations of the Neutral-Ionic Phase Transition in TTF-CA and Its Dynamics. Crystals 2017, 7, 17.

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