ISIS Neutron and Muon Source Data Journal

Disentangling the Phase Diagram of MAPbBr3 at Pressure

Abstract: Metal halide perovskites have emerged as a class of promising semiconductors for high-performance optoelectronics devices. However, a clear understanding of the relationship between their physical structures and electronic properties is still missing due to the limitation of as-synthesised perovskites and the Goldschmidt tolerance factor. Especially, limited studies have been conducted on perovskites with organic cations under pressure and there is still much controversy. We propose to perform a large volume neutron diffraction experiment at high pressure looking at the structural transformation sequence of MAPbBr3 in a variety of pressure transmitting media. This will not only disentangle the issue of the pressure transmitting media on the phase diagram but also provide a unique set of crystallographic information in each of the phases observed upon compression which only the use of neutron diffraction can provide.

Principal Investigator: Dr Yue Hu
Experimenter: Miss Xiang Liu
Experimenter: Mr Sicheng Deng
Local Contact: Dr Craig Bull
Experimenter: Professor Colin Pulham
Experimenter: Ms Xuerui Yi

DOI: 10.5286/ISIS.E.RB2420043

ISIS Experiment Number: RB2420043

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 Yue Hu et al; (2025): Disentangling the Phase Diagram of MAPbBr3 at Pressure, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2420043

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