ISIS Neutron and Muon Source Data Journal

Assignment of higher-order transitions in the vibrational spectrum of the novel perovskite oxyhydride BaTiO3-xHx

Abstract: This proposal requests 2 days on MERLIN to measure the INS spectrum of the novel perovskite type oxyhydride BaTiO3-xHx (x = 0.4). Prevision INS measurements, on TOSCA, have revealed the presence of H vibrational modes at around 911 and 1027 cm-1. Analysis of the INS spectrum at higher frequencies suggests the presence of higher-order transitions at around 1800, 1900, 2800 and 2900 cm-1. However, just on the basis of their frequencies, it is not possible to clarify what type of type of higher-order transitions these are. Nevertheless, such information is important for the further understanding of these materials, e.g. in relation to the anharmonicity of the bonds present. The aim with this proposal is to correctly assign the bands related to higher-order transitions, which is possible by analysing the Q-dependence of the scattering intensity (this is possible on MERLIN but not on TOSCA).

Principal Investigator: Dr Maths Karlsson
Experimenter: Mrs Carin Eklof-Osterberg
Experimenter: Professor Stewart Parker
Experimenter: Miss Laura Mazzei

DOI: 10.5286/ISIS.E.RB1700015

ISIS Experiment Number: RB1700015

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

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; (2016): Assignment of higher-order transitions in the vibrational spectrum of the novel perovskite oxyhydride BaTiO3-xHx, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1700015

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