Low thermal conductivity and promising thermoelectric performance in AxCoSb (A = V, Nb or Ta) half-Heuslers with inherent vacancies

D. A. Ferluccio, J. E. Halpin, K. L. MacIntosh, R. J. Quinn, E. Don,
R. I. Smith, D. A. MacLaren* and J-W. G. Bos*

* Contact E-mail: j.w.g.bos@hw.ac.uk; dmaclaren@physics.org

J. Mater. Chem. C, 2019, Accepted Manuscript DOI: 10.1039/C9TC00743A 


Figures 1, 2, 4, 5, S1 & S2
---------------------------
The data for the manuscript figures in the .ogg file format used by the software Origin by OriginLab (https://www.originlab.com). These files collate in particular the property measurement data of Figs. 4 & 5. A viewer for these files is available free of charge for the Microsoft Windows and Apple OSX operating systems at http://www.originlab.com/viewer.
Figure1.ogg
Figure2.ogg
Figure4.ogg
Figure5.ogg
FigureS1.ogg
FigureS2.ogg
FigureS5.ogg
FigureS6.ogg


Diffraction data of Fig. 1, 2, S1 and S2 are provided within the "NPD" folder. The Polaris neutron powder diffraction data are given in three formats:

*.gsas files suitable for use with GSAS software

*.-D.dat and *-TOF.dat, which are asci files for the individual detector banks of HRPD with x-units of d-spacing and time-of-flight, respectively. (https://www.isis.stfc.ac.uk/Pages/Polaris-technical-information.aspx)

* *.nxs file for use with Mantid software (http://www.mantidproject.org/Main_Page)


Figures 3, S3 & S4
------------------

SEM BSE images are TIFF images. Raw combined SEM/EDS/EBSD data files are contained in Bruker’s ESPRIT 2 ‘BCF’ file format (details at the time of writing are advertised at: https://www.bruker.com/products/x-ray-diffraction-and-elemental-analysis/eds-wds-ebsd-sem-micro-xrf-and-sem-micro-ct/esprit-2.html). The raw data files hold SEM images, EBSD orientation mapping and EDS spectral images. Data was acquired using a Thermo Fisher Scientific Helios Plasma Focused Ion Beam (PFIB) equipped with a Bruker XFlash 100 mm2 EDX detector and a Bruker eFlash FS EBSD detector.  SEM/EDS/EBSD data is generally collected at 30 kV, 22 nA beam conditions with a ~8 mm working distance and a 70° degree sample tilt. See manuscript for details on raw data data processing.

Figure 3
(a)(b)(c)	Dataset VxCoSb-2000x-df170b.bcf
(d)(e)(f)	Dataset NbxCoSb-8000x-df144d.bcf
(g)(h)(i)	Dataset TaxCoSb-8000x-df169b.bcf

Figure S3 
(a)	VxCoSb-2000x-df170b-SEM-BSE.tif
(b)	NbxCoSb-8000x-df144d-SEM-BSE.tif
(c)	TaxCoSb-8000x-df169b-SEM-BSE.tif

Figure S4 
(a)	Dataset VxCoSb-2000x-df170b.bcf
(b)	Dataset NbxCoSb-8000x-df144d.bcf
(c)	Dataset TaxCoSb-8000x-df169b.bcf