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Atom Probe Tomography of a Cu-Doped TiNiSn Thermoelectric Material: Nanoscale Structure and Optimization of Analysis Conditions

Published online by Cambridge University Press:  28 July 2021

Henry He ,
John E. Halpin ,
Srinivas R. Popuri ,
Luke Daly Open the ORCID record for Luke Daly [Opens in a new window] ,
Jan-Willem G. Bos Open the ORCID record for Jan-Willem G. Bos [Opens in a new window] ,
Michael P. Moody Open the ORCID record for Michael P. Moody [Opens in a new window] ,
Donald A. MacLaren Open the ORCID record for Donald A. MacLaren [Opens in a new window]  and
Paul A.J. Bagot Open the ORCID record for Paul A.J. Bagot [Opens in a new window]
Henry He
Affiliation:
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
John E. Halpin
Affiliation:
SUPA, School of Physics and Astronomy, University of Glasgow, Glasgow, G12 8QQ, UK
Srinivas R. Popuri
Affiliation:
Institute of Chemical Sciences and Centre for Advanced Energy Storage and Recovery, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK
Luke Daly
Affiliation:
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK Australian Centre for Microscopy and Microanalysis, University of Sydney, Sydney, NSW 2006, Australia School of Geographical and Earth Sciences, University of Glasgow, Glasgow, G12 8QQ, UK Space Science and Technology Centre, School of Earth and Planetary Science, Curtin University, Bentley, WA 6102, Australia
Jan-Willem G. Bos
Affiliation:
Institute of Chemical Sciences and Centre for Advanced Energy Storage and Recovery, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, EH14 4AS, UK
Michael P. Moody
Affiliation:
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
Donald A. MacLaren
Affiliation:
SUPA, School of Physics and Astronomy, University of Glasgow, Glasgow, G12 8QQ, UK
Paul A.J. Bagot*
Affiliation:
Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK School of Geographical and Earth Sciences, University of Glasgow, Glasgow, G12 8QQ, UK
*
*Author for correspondence: Paul Bagot, E-mail: paul.bagot@materials.ox.ac.uk
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Abstract

Cu-doping and crystallographic site occupations within the half-Heusler (HH) TiNiSn, a promising thermoelectric material, have been examined by atom probe tomography. In particular, this investigation aims to better understand the influence of atom probe analysis conditions on the measured chemical composition. Under a voltage-pulsing mode, atomic planes are clearly resolved and suggest an arrangement of elements in-line with the expected HH (F-43m space group) crystal structure. The Cu dopant is also distributed uniformly throughout the bulk material. For operation under laser-pulsed modes, the returned composition is highly dependent on the selected laser energy, with high energies resulting in the measurement of excessively high absolute Ti counts at the expense of Sn and in particular Ni. High laser energies also appear to be correlated with the detection of a high fraction of partial hits, indicating nonideal evaporation behavior. The possible mechanisms for these trends are discussed, along with suggestions for optimal analysis conditions for these and similar thermoelectric materials.

Keywords

atom probe tomographycharge–state ratioshalf-HeuslerstoichiometrythermoelectricsTiNiSn
Type
Applications in Alloys
Information
Microscopy and Microanalysis , Volume 28 , Issue 4 , August 2022 , pp. 1340 - 1347
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Copyright
Copyright © The Author(s), 2021. Published by Cambridge University Press on behalf of the Microscopy Society of America

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