ISIS Neutron and Muon Source Data Journal

Nuclear quantum dynamics across the structural phase transition in an organic antiferroelectric crystal.

Abstract: Inspired by the calorimetric and dielectric properties studies on a novel organic anitferroelectric compound, dtBBP - CLA , this proposal seeks to compare and extend the methodology to further corroborate the model of hydrogen dynamics across the hydrogen bond that seems to explain the ferroelectric phase transition at both native and deuterated systems. Using selective deuteration of the hydrogen bond site-selectivity of NCS will be achieved in dtBBP - CLA.Deuteron momentum distribution and subsequently the shape of the Born-Oppenheimer potential felt by deuterons in the hydrogen bond will be reconstructed to assess the degree of deuteron wave function coherence below and above the ferroelectric phase transition.

Principal Investigator: Professor Grazyna Bator
Experimenter: Professor Giovanni Romanelli
Experimenter: Dr Matthias Gutmann
Experimenter: Dr Kacper Druzbicki
Experimenter: Dr Matthew Krzystyniak
Experimenter: Dr Magdalena Rok

DOI: 10.5286/ISIS.E.RB1810023

ISIS Experiment Number: RB1810023

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Grazyna Bator et al; (2018): Nuclear quantum dynamics across the structural phase transition in an organic antiferroelectric crystal., STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1810023

Data is released under the CC-BY-4.0 license.