ISIS Neutron and Muon Source Data Journal

Local coordination and vibrational properties of hydride-ions in peculiar perovskite oxyhydrides

Abstract: This proposal requests 5 days on TOSCA with the aim to investigate the compositional dependence (x) of the local coordination and vibrational properties of the novel class of hydride-ion conducting perovskite oxyhydrides BaTiO3-xHx (x = 0, 0.1, 0.2, 0.3, 0.4, 0.5, and 0.6), including one deuterated equivalent (BaTiO2.4D0.6). The results will be correlated/compared with the corresponding Raman/IR spectra, to be measured in our home laboratory, as well as with results obtained from first-principles phonon calculations. The combination of results should provide detailed information regarding the structure and hydride-ion vibrational dynamics in perovskite oxyhydrides and hence increase our understanding of these materials. In particular, the results should help in the analysis of future QENS studies targeted at elucidating the hydride-ion dynamics on a local- to intermediate length-scale.

Principal Investigator: Dr Maths Karlsson
Experimenter: Mrs Carin Eklof-Osterberg
Experimenter: Dr Ulrich Haussermann
Local Contact: Professor Stewart Parker

DOI: 10.5286/ISIS.E.RB1510450

ISIS Experiment Number: RB1510450

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 Maths Karlsson et al; (2015): Local coordination and vibrational properties of hydride-ions in peculiar perovskite oxyhydrides, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510450

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