Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations
The series of Mn2−xFexP1−ySiy types of compounds form one of the most promising families of magnetocaloric materials in term of performances and availability of the elemental components. Potential for large scale application needs to optimize the synthesis process, and an easy and rather fast proces...
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MDPI AG
2019-01-01
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| Series: | Crystals |
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| Online Access: | http://www.mdpi.com/2073-4352/9/1/37 |
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| author | Daniel Fruchart Sonia Haj-Khlifa Patricia de Rango Mohamed Balli Ryszard Zach Wieslaw Chajec Piotr Fornal Jan Stanek Stanislaw Kaprzyk Janusz Tobola |
| author_facet | Daniel Fruchart Sonia Haj-Khlifa Patricia de Rango Mohamed Balli Ryszard Zach Wieslaw Chajec Piotr Fornal Jan Stanek Stanislaw Kaprzyk Janusz Tobola |
| author_sort | Daniel Fruchart |
| collection | DOAJ |
| description | The series of Mn2−xFexP1−ySiy types of compounds form one of the most promising families of magnetocaloric materials in term of performances and availability of the elemental components. Potential for large scale application needs to optimize the synthesis process, and an easy and rather fast process here described is based on the use of two main type of precursors, providing the Fe-P and Mn-Si proportions. The series of Mn2−xFexP1−ySiy compounds were synthesized and carefully investigated for their crystal structure versus temperature and compared interestingly with earlier results. A strong magnetoelastic effect accompanying the 1st order magnetic transition—as well as the parent phosphide–arsenides—was related to the relative stability of both the Fe magnetic polarization and the Fe–Fe exchange couplings. In order to better understand this effect, we propose a local distortion index of the non-metal tetrahedron hosting Fe atoms. Besides, from Mn-rich (Si-rich) to Fe-rich (P-rich) compositions, it is shown that the magnetocaloric phenomenon can be established on demand below and above room temperature. Excellent performance compounds were realized in terms of magnetic entropy ΔSm and adiabatic temperature ΔTad variations. Since from literature it was seen that the magnetic performances are very sensitive to the synthesis process, correspondingly here a new effective process is proposed. Mössbauer spectroscopy analysis was performed on Mn-rich, equi-atomic Mn-Fe, and Fe-rich compounds, allowing determination of the distribution of hyperfine fields setting on Fe in the tetrahedral and pyramidal sites, respectively. Electronic structure calculations confirmed the scheme of metal and non-metal preferential ordering, respectively. Moreover, the local magnetic moments were derived, in fair agreement with both the experimental magnetization and the Fe contributions, as determined by Mössbauer spectroscopy. |
| first_indexed | 2024-04-11T21:52:03Z |
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| language | English |
| last_indexed | 2024-04-11T21:52:03Z |
| publishDate | 2019-01-01 |
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| record_format | Article |
| series | Crystals |
| spelling | doaj.art-57fb095c8ae4445fa91af4eec7f055a32022-12-22T04:01:12ZengMDPI AGCrystals2073-43522019-01-01913710.3390/cryst9010037cryst9010037Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure CalculationsDaniel Fruchart0Sonia Haj-Khlifa1Patricia de Rango2Mohamed Balli3Ryszard Zach4Wieslaw Chajec5Piotr Fornal6Jan Stanek7Stanislaw Kaprzyk8Janusz Tobola9Institut Néel, CNRS et UGA, BP 166, 38042 Grenoble CÉDEX 9, FranceInstitut Néel, CNRS et UGA, BP 166, 38042 Grenoble CÉDEX 9, FranceInstitut Néel, CNRS et UGA, BP 166, 38042 Grenoble CÉDEX 9, FranceInternational University of Rabat, Parc Technopolis, Rocade Rabat-Salé 11100, MoroccoInstitute of Physics, Cracow University of Technology, Podchorazych 1, 30-084 Cracow, PolandInstitute of Physics, Cracow University of Technology, Podchorazych 1, 30-084 Cracow, PolandInstitute of Physics, Cracow University of Technology, Podchorazych 1, 30-084 Cracow, PolandM. Smoluchowski Institute of Physics, Jagiellonian Univiversity, Lojasiewicza 11, Cracow, 30-348 PolandAGH University of Science and Technology, Mickiewicza 30, 30-059 Cracow, PolandAGH University of Science and Technology, Mickiewicza 30, 30-059 Cracow, PolandThe series of Mn2−xFexP1−ySiy types of compounds form one of the most promising families of magnetocaloric materials in term of performances and availability of the elemental components. Potential for large scale application needs to optimize the synthesis process, and an easy and rather fast process here described is based on the use of two main type of precursors, providing the Fe-P and Mn-Si proportions. The series of Mn2−xFexP1−ySiy compounds were synthesized and carefully investigated for their crystal structure versus temperature and compared interestingly with earlier results. A strong magnetoelastic effect accompanying the 1st order magnetic transition—as well as the parent phosphide–arsenides—was related to the relative stability of both the Fe magnetic polarization and the Fe–Fe exchange couplings. In order to better understand this effect, we propose a local distortion index of the non-metal tetrahedron hosting Fe atoms. Besides, from Mn-rich (Si-rich) to Fe-rich (P-rich) compositions, it is shown that the magnetocaloric phenomenon can be established on demand below and above room temperature. Excellent performance compounds were realized in terms of magnetic entropy ΔSm and adiabatic temperature ΔTad variations. Since from literature it was seen that the magnetic performances are very sensitive to the synthesis process, correspondingly here a new effective process is proposed. Mössbauer spectroscopy analysis was performed on Mn-rich, equi-atomic Mn-Fe, and Fe-rich compounds, allowing determination of the distribution of hyperfine fields setting on Fe in the tetrahedral and pyramidal sites, respectively. Electronic structure calculations confirmed the scheme of metal and non-metal preferential ordering, respectively. Moreover, the local magnetic moments were derived, in fair agreement with both the experimental magnetization and the Fe contributions, as determined by Mössbauer spectroscopy.http://www.mdpi.com/2073-4352/9/1/37ternaries Mn2−xFexP1−ySiybulk synthesistetrahedra distortionmagnetic characteristics magnetocaloric properties57Fe Mössbauer spectroscopyelectronic structure analysis |
| spellingShingle | Daniel Fruchart Sonia Haj-Khlifa Patricia de Rango Mohamed Balli Ryszard Zach Wieslaw Chajec Piotr Fornal Jan Stanek Stanislaw Kaprzyk Janusz Tobola Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations Crystals ternaries Mn2−xFexP1−ySiy bulk synthesis tetrahedra distortion magnetic characteristics magnetocaloric properties 57Fe Mössbauer spectroscopy electronic structure analysis |
| title | Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations |
| title_full | Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations |
| title_fullStr | Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations |
| title_full_unstemmed | Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations |
| title_short | Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations |
| title_sort | structure and magnetic properties of bulk synthesized mn2 xfexp1 ysiy compounds from magnetization 57fe mossbauer spectroscopy and electronic structure calculations |
| topic | ternaries Mn2−xFexP1−ySiy bulk synthesis tetrahedra distortion magnetic characteristics magnetocaloric properties 57Fe Mössbauer spectroscopy electronic structure analysis |
| url | http://www.mdpi.com/2073-4352/9/1/37 |
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