ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Principal Investigator: Dr Douglas Halliday [Deactivated]
Experimenter: Mr Max Birch
Experimenter: Dr Kevin Knight
Local Contact: Dr Alexandra Gibbs
Experimenter: Mr Chris Bosson
Experimenter: Miss Ye (Ruth) Zhou
Experimenter: Professor Peter Hatton

DOI: 10.5286/ISIS.E.RB1620312

ISIS Experiment Number: RB1620312

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 Douglas Halliday [Deactivated] et al; (2016): A high temperature neutron powder diffraction study of the crystal structures and intersite disorder of Cu2ZnSnS4, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620312

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