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Title: Evolution of ferroelectricity in tetrathiafulvalene-p-chloranil as a function of pressure and temperature

The neutral-to-ionic phase transition in the mixed-stack charge-transfer complex tetrathiafulvalene-p-chloranil (TTF-CA) has been studied by pressure-dependent infrared spectroscopy up to p = 11 kbar and down to low temperatures, T = 10 K. By tracking the C=O antisymmetric stretching mode of CA molecules, we accurately determine the ionicity of TTF-CA in the pressure-temperature phase diagram. At any point, the TTF-CA crystal bears only a single ionicity; there is no coexistence region or an exotic high-pressure phase. Our findings shed new light on the role of electron-phonon interaction in the neutral-ionic transition.
Authors:
; ; ; ; ;  [1]
  1. 1. Physikalisches Institut, Universität Stuttgart, Pfaffenwaldring 57, D-70550 Stuttgart (Germany)
Publication Date:
OSTI Identifier:
22311389
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 24; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTROSCOPY; CHLORANIL; CRYSTALS; ELECTRON-PHONON COUPLING; INFRARED SPECTRA; MOLECULES; PHASE DIAGRAMS; PHASE TRANSFORMATIONS; PRESSURE DEPENDENCE; TETRATHIAFULVALENE