Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics
The nanostructural features of a mechanically alloyed Sb-doped (Ti<sub>0.4</sub>Zr<sub>0.6</sub>)<sub>0.7</sub>Hf<sub>0.3</sub>NiSn thermoelectric (TE) Half-Heusler (HH) compound were addressed using Transmission Electron Microscopy (TEM) coupled with...
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2025-07-01
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| author | Fani Pinakidou Andreas Delimitis Maria Katsikini |
| author_facet | Fani Pinakidou Andreas Delimitis Maria Katsikini |
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| description | The nanostructural features of a mechanically alloyed Sb-doped (Ti<sub>0.4</sub>Zr<sub>0.6</sub>)<sub>0.7</sub>Hf<sub>0.3</sub>NiSn thermoelectric (TE) Half-Heusler (HH) compound were addressed using Transmission Electron Microscopy (TEM) coupled with Energy Dispersive Spectroscopy measurements and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The EXAFS measurements at the Ni-<i>K</i>, Sn-<i>K,</i> Zr-<i>K,</i> and Hf-<i>L</i><sub>3</sub>-edge were implemented in an effort to reveal the influence of Hf and Zr incorporation into the crystal with respect to their previously measured TE properties. The substitution of Ti by Hf and Zr is expected to yield local lattice distortions due to the different atomic sizes of the dopants or/and electronic charge redistribution amongst the cations. However, the material is characterised by a high degree of crystallinity in both the short and long-range order, on average, and the nominal stoichiometry is identified as (Zr<sub>0.42</sub>Hf<sub>0.30</sub>Ti<sub>0.28</sub>)NiSn<sub>0.98</sub>Sb<sub>0.02</sub>. The synergistic effect of minimization of extended structural defects or lattice distortions and considerable alloying-induced point defect population contributes to the improved TE properties and leads to the previously reported enhancement of the figure of merit of the mixed HHs. |
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| institution | Kabale University |
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| spelling | doaj-art-0d035fc325f34cc3a1a86711b4cc64a02025-08-20T03:50:21ZengMDPI AGNanomaterials2079-49912025-07-011513103710.3390/nano15131037Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn ThermoelectricsFani Pinakidou0Andreas Delimitis1Maria Katsikini2Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, GreeceDepartment of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, GreeceDepartment of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki, GreeceThe nanostructural features of a mechanically alloyed Sb-doped (Ti<sub>0.4</sub>Zr<sub>0.6</sub>)<sub>0.7</sub>Hf<sub>0.3</sub>NiSn thermoelectric (TE) Half-Heusler (HH) compound were addressed using Transmission Electron Microscopy (TEM) coupled with Energy Dispersive Spectroscopy measurements and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The EXAFS measurements at the Ni-<i>K</i>, Sn-<i>K,</i> Zr-<i>K,</i> and Hf-<i>L</i><sub>3</sub>-edge were implemented in an effort to reveal the influence of Hf and Zr incorporation into the crystal with respect to their previously measured TE properties. The substitution of Ti by Hf and Zr is expected to yield local lattice distortions due to the different atomic sizes of the dopants or/and electronic charge redistribution amongst the cations. However, the material is characterised by a high degree of crystallinity in both the short and long-range order, on average, and the nominal stoichiometry is identified as (Zr<sub>0.42</sub>Hf<sub>0.30</sub>Ti<sub>0.28</sub>)NiSn<sub>0.98</sub>Sb<sub>0.02</sub>. The synergistic effect of minimization of extended structural defects or lattice distortions and considerable alloying-induced point defect population contributes to the improved TE properties and leads to the previously reported enhancement of the figure of merit of the mixed HHs.https://www.mdpi.com/2079-4991/15/13/1037Half-Heusler (HH)thermoelectrics (TEs)nanostructureExtended X-ray Absorption Fine Structure Spectroscopy (EXAFS)Transmission Electron Microscopy (TEM/HRTEM)Energy Dispersive X-ray Spectroscopy (EDS) |
| spellingShingle | Fani Pinakidou Andreas Delimitis Maria Katsikini Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics Nanomaterials Half-Heusler (HH) thermoelectrics (TEs) nanostructure Extended X-ray Absorption Fine Structure Spectroscopy (EXAFS) Transmission Electron Microscopy (TEM/HRTEM) Energy Dispersive X-ray Spectroscopy (EDS) |
| title | Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics |
| title_full | Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics |
| title_fullStr | Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics |
| title_full_unstemmed | Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics |
| title_short | Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics |
| title_sort | probing the structural order of half heusler phases in sb doped ti zr hf nisn thermoelectrics |
| topic | Half-Heusler (HH) thermoelectrics (TEs) nanostructure Extended X-ray Absorption Fine Structure Spectroscopy (EXAFS) Transmission Electron Microscopy (TEM/HRTEM) Energy Dispersive X-ray Spectroscopy (EDS) |
| url | https://www.mdpi.com/2079-4991/15/13/1037 |
| work_keys_str_mv | AT fanipinakidou probingthestructuralorderofhalfheuslerphasesinsbdopedtizrhfnisnthermoelectrics AT andreasdelimitis probingthestructuralorderofhalfheuslerphasesinsbdopedtizrhfnisnthermoelectrics AT mariakatsikini probingthestructuralorderofhalfheuslerphasesinsbdopedtizrhfnisnthermoelectrics |