ISIS Neutron and Muon Source Data Journal

Ferroelectric transitions in potentially multiferroic Mn-formate frameworks

Abstract: The perovskite-like family of ammonium formate frameworks AB(HCO2)3, where A is a divalent metal ion and B is an (alkyl)ammonium or guanadinium, is of great interest for its potential multiferroic properties. We intend to characterise the (anti)ferroelectric order-disorder transition of the compounds A = Mn, B = ND4+ or ND2(CD3)2+ by reverse Monte Carlo modelling of total neutron diffraction data. These data will allow us to model the local structural changes across the transition, in particular the distortions in framework structure as the guests freeze into their low-temperature positions. Furthermore, we will characterise any correlations or cooperativity between adjacent guest sites. Modelling the dynamical effects responsible for the electric phase transition in these frameworks will be an important step towards the aim of producing multiferroics by design.

Principal Investigator: Dr Anthony Phillips
Experimenter: Professor Martin Dove
Experimenter: Professor Alan Drew
Experimenter: Mr Edward Beake
Experimenter: Dr Viswanathan Mohandoss

DOI: 10.5286/ISIS.E.RB1210310

ISIS Experiment Number: RB1210310

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; (2012): Ferroelectric transitions in potentially multiferroic Mn-formate frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1210310

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