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

DOI

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.

Identifier
DOI https://doi.org/10.5286/ISIS.E.92918300
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/92918300
Provenance
Creator Dr Giovanni Romanelli; Dr Matthias Gutmann; Dr Kacper Druzbicki; Dr Matthew Krzystyniak; Dr Magdalena Rok; Professor Grazyna Bator
Publisher ISIS Neutron and Muon Source
Publication Year 2021
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Natural Sciences
Temporal Coverage Begin 2018-04-17T08:00:00Z
Temporal Coverage End 2018-04-23T09:49:25Z