A high temperature neutron powder diffraction study of the crystal structures and intersite disorder of Cu2ZnSnS4

DOI

Cu2ZnSnS4 (CZTS) is a solar cell material of great interest. However the material whenfabricated, although of high symmetry, contains substantial defect concentration and a highdegree of atomic mixing on different crystallographic sites. A lack of knowledge regarding thestructure is currently hampering progress on this material. X-ray measurements have shown aniondisplacement changes begin around 420 K with a phase transition between the low-temperaturekesterite structure and a high-temperature sphalerite structure at 1149 K. In the region 1136-1161K a two-phase region occurs with both phases coexisting around the first order phase transition.We propose to undertake high-resolution neutron powder diffraction study to fully characterise thematerial from 300 K to 1200 K using HRPD.

Identifier
DOI https://doi.org/10.5286/ISIS.E.84743478
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/84743478
Provenance
Creator Mr Max Birch; Dr Alexandra Gibbs; Professor Peter Hatton; Miss Ye (Ruth) Zhou; Mr Chris Bosson; Dr Douglas Halliday; Dr Kevin Knight
Publisher ISIS Neutron and Muon Source
Publication Year 2020
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 2017-02-21T08:00:00Z
Temporal Coverage End 2017-02-22T08:00:00Z