ISIS Neutron and Muon Source Data Journal

Local structure of a barocaloric framework material

Abstract: Barocaloric materials, in which a large isothermal entropy change is associated with a pressure-induced phase transition, offer an alternative to vapour-compression techniques that rely on refrigerants that contribute to global warming and ozone depletion. The framework material TPrAMn(dca)3 has recently been shown to have a giant barocaloric effect, due to an order-disorder phase transition involving both the dca and TPrA ions. Crystallographic disorder of both ions in both the low- and high-symmetry phases makes structural characterisation extremely challenging, yet it is precisely this disorder that accounts for the material?s behaviour. The aim of this proposal is to achieve a quantitative understanding of this disorder by collecting high-resolution pair distribution functions from total scattering. This will complete the picture of the material?s local structure for the first time.

Principal Investigator: Dr Anthony Phillips
Experimenter: Dr Helen Walker
Experimenter: Mr Guanqun Cai
Experimenter: Miss Bernet Meijer
Local Contact: Professor David Keen
Experimenter: Dr Richard Dixey

DOI: 10.5286/ISIS.E.RB2010263

ISIS Experiment Number: RB2010263

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:
Dr Anthony Phillips et al; (2020): Local structure of a barocaloric framework material, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2010263

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