Local structure of the semiconductor caesium lead iodide

DOI

Caesium lead iodide is of interest both as a photoluminescent material whose optical properties may be tuned by creating nanoscale structures, and as an inorganic analogue of the recently developed solar cell sensitiser methylammonium lead iodide. Rietveld refinement of the high-temperature perovskite phase of this material gives unreasonable atomic displacement parameters on the I atoms, suggesting that the local symmetry of these sites is less than implied by the spatially averaged structure. We propose to collect total scattering data from this material; reverse Monte Carlo refinement will produce a model consistent with the local as well as the average structure. Our results will help to elucidate structure-property relationships in both this specific material and the broader lead halide perovskite family, as well as the development of the RMC technique itself.

Identifier
DOI https://doi.org/10.5286/ISIS.E.76414720
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/76414720
Provenance
Creator Dr Anthony Phillips; Mr Mark Wilkinson; Professor Martin Dove; Miss Jiaxun Liu; Professor David Keen; Miss Serena A. Maugeri; Mr Dominic Carter
Publisher ISIS Neutron and Muon Source
Publication Year 2019
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Natural Sciences; Physics
Temporal Coverage Begin 2016-03-19T08:00:00Z
Temporal Coverage End 2016-03-21T08:00:00Z