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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: [email protected]
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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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References

Amatya, R & Ram, RJ (2012). Trend for thermoelectric materials and their earth abundance. J Electron Mater 41, 1011–1019.CrossRefGoogle Scholar
Barczak, SA, Halpin, JE, Buckman, J, Decourt, R, Pollet, M, Smith, RI, Maclaren, DA & Bos, JWG (2018). Grain-by-grain compositional variations and interstitial metals - A new route toward achieving high performance in half-Heusler thermoelectrics. ACS Appl Mater Interfaces 10, 4786–4793.CrossRefGoogle ScholarPubMed
Barczak, SA, Quinn, RJ, Halpin, JE, Domosud, K, Smith, RI, Baker, AR, Don, E, Forbes, I, Refson, K, Maclaren, DA & Bos, JWG (2019). Suppression of thermal conductivity without impeding electron mobility in n-type XNiSn half-Heusler thermoelectrics.J Mater Chem A 7, 27124.CrossRefGoogle Scholar
Biswas, K, He, J, Blum, ID, Wu, CI, Hogan, TP, Seidman, DN, Dravid, VP & Kanatzidis, MG (2012). High-performance bulk thermoelectrics with all-scale hierarchical architectures. Nature 489, 414–418.CrossRefGoogle ScholarPubMed
Blum, ID, Isheim, D, Seidman, DN, He, J, Androulakis, J, Biswas, K, Dravid, VP & Kanatzidis, MG (2012). Dopant distributions in PbTe-based thermoelectric materials. J Electron Mater 41, 1583–1588.CrossRefGoogle Scholar
Bonef, B, Harrington, SD, Pennachio, DJ, Speck, JS & Palmstrøm, CJ (2019). Nanometer scale structural and compositional inhomogeneities of half-Heusler CoTi1-xFexSb thin films. J Appl Phys 125, 205301.CrossRefGoogle Scholar
Bos, JWG (2021). Recent development in half-Heusler thermoelectric materials. In Thermoelectric Energy Conversion, Funahashi, R (Ed.), pp. 125–142. Woodhead Publishing. https://www.sciencedirect.com/book/9780128185353/thermoelectric-energy-conversion#book-description.CrossRefGoogle Scholar
Chang, YH, Mouton, I, Stephenson, L, Ashton, M, Zhang, GK, Szczpaniak, A, Lu, WJ, Ponge, D, Raabe, D & Gault, B (2019). Quantification of solute deuterium in titanium deuteride by atom probe tomography with both laser pulsing and high-voltage pulsing: Influence of the surface electric field. New J Phys 21, 053025.CrossRefGoogle Scholar
Cojocaru-Mirédin, O, Abdellaoui, L, Nagli, M, Zhang, S, Yu, Y, Scheu, C, Raabe, D, Wuttig, M & Amouyal, Y (2017). Role of nanostructuring and microstructuring in silver antimony telluride compounds for thermoelectric applications. ACS Appl Mater Interfaces 9, 14779–14790.CrossRefGoogle ScholarPubMed
Devaraj, A, Colby, R, Hess, WP, Perea, DE & Thevuthasan, S (2013). Role of photoexcitation and field ionization in the measurement of accurate oxide stoichiometry by laser-assisted atom probe tomography. J Phys Chem Lett 4, 993–998.CrossRefGoogle ScholarPubMed
Downie, RA, Barczak, SA, Smith, RI & Bos, JWG (2015). Compositions and thermoelectric properties of XNiSn (X = Ti, Zr, Hf) half-Heusler alloys. J Mater Chem C 3, 10534.CrossRefGoogle Scholar
El-Zoka, AA, Kim, SH, Deville, S, Newman, RC, Stephenson, LT & Gault, B (2020). Enabling near-atomic-scale analysis of frozen water. Science Advances 6, eabd6324.CrossRefGoogle ScholarPubMed
Famelton, JR, Hughes, GM, Williams, CA & Barbatti, C (2021.Xenon plasma focussed ion beam preparation of an Al-6XXX alloy sample for atom probe tomography including analysis of an α-Al (Fe, Mn) Si dispersoid. Microsc Microanal 178, 111194.Google Scholar
Gault, B, Moody, MP, Cairney, JM & Ringer, SP (2012). Atom Probe Microscopy. New York, NY: Springer.CrossRefGoogle Scholar
Graf, T, Felser, C & Parkin, SSP (2011). Simple rules for the understanding of Heusler compounds. Prog Solid State Chem 39, 1–50.CrossRefGoogle Scholar
Halpin, JE, Webster, RWH, Gardner, H, Moody, MP, Bagot, PAJ & Maclaren, DA (2019). An in-situ approach for preparing atom probe tomography specimens by xenon plasma-focussed ion beam. Ultramicroscopy 202, 121–127. doi:10.1016/j.ultramic.2019.04.005CrossRefGoogle ScholarPubMed
Hans, M & Schneider, JM (2019). On the chemical composition of TiAlN thin films - Comparison of ion beam analysis and laser-assisted atom probe tomography with varying laser pulse energy. Thin Solid Films 688, 137251. doi:10.1016/j.tsf.2019.04.026CrossRefGoogle Scholar
He, R, Schierning, G & Nielsch, K (2018). Thermoelectric devices: A review of devices, architectures, and contact optimization. Adv Mater Technol 3, 1700256.CrossRefGoogle Scholar
Kim, YJ, Blum, ID, He, J, Kanatzidis, MG, Dravid, VP & Seidman, DN (2014). Three-dimensional atom-probe tomographic analyses of lead-telluride based thermoelectric materials. J Mater 66, 2288–2297.Google Scholar
Kingham, DR (1982). The post-ionization of field evaporated ions: A theoretical explanation of multiple charge states. Surf Sci 116, 273–301.CrossRefGoogle Scholar
Liu, R, Chen, H, Zhao, K, Qin, Y, Jiang, B, Zhang, T, Sha, G, Shi, X, Uher, C, Zhang, W & Chen, L (2017). Entropy as a gene-like performance indicator promoting thermoelectric materials. Adv Mater 29, 1702712.CrossRefGoogle ScholarPubMed
Miller, MK, Cerezo, A, Hetherington, MG & Smith, GDW (1996). Atom Probe Field Ion Microscopy. Oxford, UK: Oxford University Press.Google Scholar
Momma, K & Izumi, S (2011). VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. J Appl Crystallogr 44, 1272–1276.CrossRefGoogle Scholar
Morris, RJH, Cuduvally, R, Melkonyan, D, Zhao, M, van der Heide, P & Vandervorst, W (2019). Atom probe of GaN/AlGaN heterostructures: The role of electric field, sample crystallography and laser excitation on quantification. Ultramicroscopy 206. doi:10.1016/j.ultramic.2019.112813CrossRefGoogle ScholarPubMed
Müller, M, Saxey, DW, Smith, GDW & Gault, B (2011). Some aspects of the field evaporation behaviour of GaSb. Ultramicroscopy 111, 487–492.CrossRefGoogle ScholarPubMed
Oberheide, J, Wilhelms, P & Zimmer, M (1997). New results on the absolute ion detection efficiencies of a microchannel plate. Meas Sci Technol 8, 351–354.CrossRefGoogle Scholar
Pedrazzini, S, London, AJ, Gault, B, Saxey, D, Speller, S, Grovenor, CRM, Danaie, M, Moody, MP, Edmondson, PD & Bagot, PAJ (2017). Nanoscale stoichiometric analysis of a high-temperature superconductor by atom probe tomography. Microsc Microanal 23, 414–424.CrossRefGoogle ScholarPubMed
Pei, Y, Lensch-Falk, J, Toberer, ES, Medlin, DL & Snyder, GJ (2011). High thermoelectric performance in PbTe due to large nanoscale Ag 2Te precipitates and La doping. Adv Funct Mater 21, 241–249.CrossRefGoogle Scholar
Snyder, GJ & Toberer, ES (2008). Complex thermoelectric materials. Nat Mater 7, 105–114.CrossRefGoogle ScholarPubMed
Thompson, K, Lawrence, D, Larson, DJ, Olson, JD, Kelly, TF & Gorman, B (2007). In situ site-specific specimen preparation for atom probe tomography. Ultramicroscopy 107, 131–139.CrossRefGoogle ScholarPubMed
Thuvander, M, Kvist, A, Johnson, LJS, Weidow, J & Andrén, HO (2013). Reduction of multiple hits in atom probe tomography. Ultramicroscopy 132, 81–85.CrossRefGoogle ScholarPubMed
Webster, RWH, Halpin, JE, Popuri, SR, Bos, J-WG & Maclaren, DA (2019). Spontaneous formation of nanostructures during pulsed laser deposition of epitaxial half-Heusler TiNiSn on MgO(001). APL Mater 7, 13206. doi:10.1063/1.5052361CrossRefGoogle Scholar
Yu, Y, Zhou, C, Zhang, S, Zhu, M, Wuttig, M, Scheu, C, Raabe, D, Snyder, GJ, Gault, B & Cojocaru-Mirédin, O (2020). Revealing nano-chemistry at lattice defects in thermoelectric materials using atom probe tomography. Mater Today 32, 260–274. doi:10.1016/j.mattod.2019.11.010CrossRefGoogle Scholar