Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition
Abstract Half-Heusler (HH) phase TmNiSb was obtained by arc-melting combined with high-pressure high-temperature sintering in conditions: p = 5.5 GPa, $$T_{HPHT}$$ T HPHT = 20, 250, 500, 750, and 1000 $$^{\circ }$$ ∘ C. Within pressing temperatures 20–750 $$^{\circ }$$ ∘ C the samples maintained H...
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Nature Portfolio
2023-01-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-023-28110-4 |
| _version_ | 1811175856015409152 |
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| author | Kamil Ciesielski Karol Synoradzki Damian Szymański Kazuki Tobita Katarzyna Berent Patryk Obstarczyk Kaoru Kimura Dariusz Kaczorowski |
| author_facet | Kamil Ciesielski Karol Synoradzki Damian Szymański Kazuki Tobita Katarzyna Berent Patryk Obstarczyk Kaoru Kimura Dariusz Kaczorowski |
| author_sort | Kamil Ciesielski |
| collection | DOAJ |
| description | Abstract Half-Heusler (HH) phase TmNiSb was obtained by arc-melting combined with high-pressure high-temperature sintering in conditions: p = 5.5 GPa, $$T_{HPHT}$$ T HPHT = 20, 250, 500, 750, and 1000 $$^{\circ }$$ ∘ C. Within pressing temperatures 20–750 $$^{\circ }$$ ∘ C the samples maintained HH structure, however, we observed intrinsic phase separation. The material divided into three phases: stoichiometric TmNiSb, nickel-deficient phase TmNi $$_{1-x}$$ 1 - x Sb, and thulium-rich phase Tm(NiSb) $$_{1-y}$$ 1 - y . For TmNiSb sample sintered at 1000 $$^{\circ }$$ ∘ C, we report structural transition to LiGaGe-type structure (P $$6_3$$ 6 3 mc, a = 4.367(3) Å, c = 7.138(7) Å). Interpretation of the transition is supported by X-ray powder diffraction, electron back-scattered diffraction, ab-initio calculations of Gibbs energy and phonon dispersion relations. Electrical resistivity measured for HH samples with phase separation shown non-degenerate behavior. Obtained energy gaps for HH samples were narrow ( $$\le$$ ≤ 260 meV), while the average hole effective masses in range 0.8–2.5 $$m_e$$ m e . TmNiSb sample pressed at 750 $$^{\circ }$$ ∘ C achieved the biggest power factor among the series, 13 $$\upmu$$ μ WK $$^{-2}$$ - 2 cm $$^{-1}$$ - 1 , which proves that the intrinsic phase separation is not detrimental for the electronic transport. |
| first_indexed | 2024-04-10T19:43:46Z |
| format | Article |
| id | doaj.art-0bef4c68a9bb4224aa4b5c8bf4473456 |
| institution | Directory Open Access Journal |
| issn | 2045-2322 |
| language | English |
| last_indexed | 2024-04-10T19:43:46Z |
| publishDate | 2023-01-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj.art-0bef4c68a9bb4224aa4b5c8bf44734562023-01-29T12:10:09ZengNature PortfolioScientific Reports2045-23222023-01-0113111310.1038/s41598-023-28110-4Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transitionKamil Ciesielski0Karol Synoradzki1Damian Szymański2Kazuki Tobita3Katarzyna Berent4Patryk Obstarczyk5Kaoru Kimura6Dariusz Kaczorowski7Institute of Low Temperature and Structure Research, Polish Academy of SciencesInstitute of Low Temperature and Structure Research, Polish Academy of SciencesInstitute of Low Temperature and Structure Research, Polish Academy of SciencesDepartment of Advanced Materials Science, The University of TokyoAGH University of Science and Technology, Academic Centre for Materials and NanotechnologyInstitute of Low Temperature and Structure Research, Polish Academy of SciencesDepartment of Advanced Materials Science, The University of TokyoInstitute of Low Temperature and Structure Research, Polish Academy of SciencesAbstract Half-Heusler (HH) phase TmNiSb was obtained by arc-melting combined with high-pressure high-temperature sintering in conditions: p = 5.5 GPa, $$T_{HPHT}$$ T HPHT = 20, 250, 500, 750, and 1000 $$^{\circ }$$ ∘ C. Within pressing temperatures 20–750 $$^{\circ }$$ ∘ C the samples maintained HH structure, however, we observed intrinsic phase separation. The material divided into three phases: stoichiometric TmNiSb, nickel-deficient phase TmNi $$_{1-x}$$ 1 - x Sb, and thulium-rich phase Tm(NiSb) $$_{1-y}$$ 1 - y . For TmNiSb sample sintered at 1000 $$^{\circ }$$ ∘ C, we report structural transition to LiGaGe-type structure (P $$6_3$$ 6 3 mc, a = 4.367(3) Å, c = 7.138(7) Å). Interpretation of the transition is supported by X-ray powder diffraction, electron back-scattered diffraction, ab-initio calculations of Gibbs energy and phonon dispersion relations. Electrical resistivity measured for HH samples with phase separation shown non-degenerate behavior. Obtained energy gaps for HH samples were narrow ( $$\le$$ ≤ 260 meV), while the average hole effective masses in range 0.8–2.5 $$m_e$$ m e . TmNiSb sample pressed at 750 $$^{\circ }$$ ∘ C achieved the biggest power factor among the series, 13 $$\upmu$$ μ WK $$^{-2}$$ - 2 cm $$^{-1}$$ - 1 , which proves that the intrinsic phase separation is not detrimental for the electronic transport.https://doi.org/10.1038/s41598-023-28110-4 |
| spellingShingle | Kamil Ciesielski Karol Synoradzki Damian Szymański Kazuki Tobita Katarzyna Berent Patryk Obstarczyk Kaoru Kimura Dariusz Kaczorowski Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition Scientific Reports |
| title | Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition |
| title_full | Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition |
| title_fullStr | Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition |
| title_full_unstemmed | Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition |
| title_short | Half-Heusler phase TmNiSb under pressure: intrinsic phase separation, thermoelectric performance and structural transition |
| title_sort | half heusler phase tmnisb under pressure intrinsic phase separation thermoelectric performance and structural transition |
| url | https://doi.org/10.1038/s41598-023-28110-4 |
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