A high-temperature neutron powder determination of the phase transition and crystal structures of Cu2ZnSnS4

DOI

Cu2ZnSnS4 (CZTS) is a solar cell material of great interest. However the material when fabricated, although of high symmetry, contains substantial defect concentration and a high degree of atomic mixing on different crystallographic sites. A lack of knowledge regarding the structure is currently hampering progress on this material. X-ray measurements have shown anion displacement changes begin around 420 K with a phase transition between the low-temperature kesterite structure and a high-temperature sphalerite structure at 1149 K. In the region 1136-1161 K 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 the material from 4 K to 1200 K using HRPD.

Identifier
DOI https://doi.org/10.5286/ISIS.E.63530807
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/63530807
Provenance
Creator Dr Kevin Knight; Professor Peter Hatton; Dr Douglas Halliday; Mr Max Birch; Mr Chris Bosson
Publisher ISIS Neutron and Muon Source
Publication Year 2018
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 2015-10-08T07:00:00Z
Temporal Coverage End 2015-10-10T07:00:00Z