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Crystals 2019, 9(1), 37; https://doi.org/10.3390/cryst9010037

Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations

1
Institut Néel, CNRS et UGA, BP 166, 38042 Grenoble CÉDEX 9, France
2
International University of Rabat, Parc Technopolis, Rocade Rabat-Salé 11100, Morocco
3
Institut Quantique, Département de Physique, Université de Sherbrooke, Sherbrooke, QC J1K 2R1, Canada
4
Institute of Physics, Cracow University of Technology, Podchorazych 1, 30-084 Cracow, Poland
5
M. Smoluchowski Institute of Physics, Jagiellonian Univiversity, Lojasiewicza 11, 30-348 Cracow, Poland
6
AGH University of Science and Technology, Mickiewicza 30, 30-059 Cracow, Poland
Deceased end October 2018 when completing this work dedicated to Stanek, a high level and gentleman scientist.
*
Author to whom correspondence should be addressed.
Received: 12 November 2018 / Revised: 2 January 2019 / Accepted: 4 January 2019 / Published: 13 January 2019
(This article belongs to the Special Issue Advances in Caloric Materials)
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Abstract

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. View Full-Text
Keywords: ternaries Mn2−xFexP1−ySiy; bulk synthesis; tetrahedra distortion; magnetic characteristics magnetocaloric properties; 57Fe Mössbauer spectroscopy; electronic structure analysis ternaries Mn2−xFexP1−ySiy; bulk synthesis; tetrahedra distortion; magnetic characteristics magnetocaloric properties; 57Fe Mössbauer spectroscopy; electronic structure analysis
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Fruchart, D.; Haj-Khlifa, S.; de Rango, P.; Balli, M.; Zach, R.; Chajec, W.; Fornal, P.; Stanek, J.; Kaprzyk, S.; Tobola, J. Structure and Magnetic Properties of Bulk Synthesized Mn2−xFexP1−ySiy Compounds from Magnetization, 57Fe Mössbauer Spectroscopy, and Electronic Structure Calculations. Crystals 2019, 9, 37.

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