ISIS Neutron and Muon Source Data Journal

Non-centrosymmetrtic Dion-Jacobson and Ruddlesden-Popper Phases

Abstract: Ferroelectric materials find many applications, however ferroelectric behaviour is rare as it requires a material to have a non-centrosymmetric (NCS) structure.We have been studying the role of the cooperative twisting and tilting distortions of the octahedral units in layered Dion-Jacobson and Ruddlesden-Popper phases on NCS structure formation. DFT calculations predict that the ground state structures of A’NdB2O7 (A’ = Cs, Rb; B = Nb, Ta) phases should be polar. SHG measurements have confirmed these phases have acentric crystal structures.Furthermore, the large A’ cations in Dion-Jacobson phase can be exchanged for lithium, to yield phases with Ruddlesden-Popper type structures. SHG measurements indicate these phases are also acentric. We propose to collect powder neutron diffraction data from these phases to determine their structures accurately.

Principal Investigator: Professor Michael Hayward
Experimenter: Mr Nijat Hasanli
Experimenter: Mr Tong Zhu
Local Contact: Dr Alexandra Gibbs

DOI: 10.5286/ISIS.E.RB1620305

ISIS Experiment Number: RB1620305

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 Michael Hayward et al; (2017): Non-centrosymmetrtic Dion-Jacobson and Ruddlesden-Popper Phases, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620305

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