ISIS Neutron and Muon Source Data Journal

Structural Changes through the Semiconductor to Metal Transition in Cu2ZnGeSe4

Abstract: We wish to collect powder neutron diffraction data as a function of temperature to investigate structural changes through a phase transition in the parent thermoelectric phase Cu2ZnGeSe4. DSC data indicate a phase transition occurs at ca 450 K, which NMR data suggest is associated with a change in the number of copper sites. Significant changes are observed in electrical transport properties in the temperature range 400 < T/K < 500, which appear to indicate a change from semiconducting to metallic behaviour. We wish to exploit the contrast between Cu and Zn that is afforded by neutrons to investigate the evolution of structure, including changes in cation ordering, of the room temperature ordered stannite derivative of zinc blende through the semiconductor to metal transition and the transformation to a wurtzite-related structure at higher temperatures.

Principal Investigator: Professor Anthony Powell
Experimenter: Dr Paz Vaqueiro-Rodriguez
Local Contact: Dr Ronald Smith
Experimenter: Mr Panagiotis Mangelis
Experimenter: Mr Sebastian Long

DOI: 10.5286/ISIS.E.RB1620098

ISIS Experiment Number: RB1620098

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Anthony Powell et al; (2016): Structural Changes through the Semiconductor to Metal Transition in Cu2ZnGeSe4 , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620098

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