ISIS Neutron and Muon Source Data Journal

This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.


Metal Atom Ordering in Thermoelectric Materials

Abstract: Preparation of materials Co3-xNixSn2S2 (0 < x < 3) has enabled the effect of electron-doping on the thermoelectric properties of shandites to be investigated. DFT calculations suggest that in the mixed-metal phases, a lowering of energy is achieved through ordering of nickel and cobalt atoms. For example at x = 1, nickel atoms preferentially occupy one in three of the kagome-like layers of the shandite structure. We wish to exploit the Co/Ni contrast afforded by powder neutron diffraction to characterise the metal atom order in Co3-xNixSn2S2 and for the critical compositions x= 1, 2, investigate its temperature dependence. Although Co/Ni ordering does not enlarge the unit cell, simulations indicate that it introduces new reflections into the neutron diffraction pattern and alters the relative intensities of reflections arising from the underlying trigonal sub-cell.

Principal Investigator: Professor Anthony Powell
Experimenter: Mr Alex Aziz
Experimenter: Dr Paz Vaqueiro-Rodriguez
Experimenter: Mr Panagiotis Mangelis
Experimenter: Dr Ricardo Grau-Crespo
Experimenter: Mr Gabin Guélou
Experimenter: Dr Jesus Prado-Gonjal
Local Contact: Dr Ronald Smith

DOI: 10.5286/ISIS.E.RB1510200

ISIS Experiment Number: RB1510200

Part DOI Instrument Public release date Download Link
10.5286/ISIS.E.58447219 GEM 30 March 2018 Download

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; (2015): Metal Atom Ordering in Thermoelectric Materials, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510200

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



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