ISIS Neutron and Muon Source Data Journal

Local structure of the ferroelectric and giant barocaloric (ND4)2SO4

Abstract: Ammonium sulfate has a well-known order-disorder phase transition at -50 ºC: initially of interest for the ferroelectric behaviour in the low-temperature phase, this has attracted renewed attention recently for its electro- and barocaloric properties. While it is established that this phase transition involves a complex rearrangement of the hydrogen-bond network, its exact mechanism is the subject of continued debate. We propose a total scattering study of the structure in both para- and ferrielectric phases. Using the reverse Monte Carlo method, we will generate atomistic models that reflect both the long-range and the local structure of this material. Our results will isolate the structural changes responsible for ammonium sulfate's electric and caloric behaviour, and contribute towards the development of new materials with these interesting and important properties.

Principal Investigator: Dr Anthony Phillips
Experimenter: Miss Jiaxun Liu
Local Contact: Dr Helen Playford
Experimenter: Mr Guanqun Cai
Experimenter: Professor Martin Dove
Experimenter: Dr Helen Walker

DOI: 10.5286/ISIS.E.RB1910408

ISIS Experiment Number: RB1910408

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; (2019): Local structure of the ferroelectric and giant barocaloric (ND4)2SO4, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1910408

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