Szczegóły publikacji

Opis bibliograficzny

Structure and magnetic properties of bulk synthesized $Mn_{2−x}Fe_{x}P_{1−y}Si_{y}$ compounds from magnetization, $^{57}Fe$ Mössbauer spectroscopy, and electronic structure calculations / Daniel Fruchart, Sonia Haj-Khlifa, Patricia de Rango, Mohamed Balli, Ryszard Zach, Wiesław Chajec, Piotr Fornal, Jan Stanek, Stanisław KAPRZYK, Janusz TOBOŁA // Crystals [Dokument elektroniczny]. — Czasopismo elektroniczne ; ISSN 2073-4352. — 2019 — vol. 9 iss. 1 art. no. 37, s. 1–27. — Wymagania systemowe: Adobe Reader. — Bibliogr. s. 23–27, Abstr. — Publikacja dostępna online od: 2019-01-13


Autorzy (10)


Słowa kluczowe

electronic structure analysismagnetic characteristics magnetocaloric propertiesternaries Mn2-xFexP1-ySiy57Fe Mossbauer spectroscopybulk synthesistetrahedra distortion

Dane bibliometryczne

ID BaDAP120682
Data dodania do BaDAP2019-04-11
Tekst źródłowyURL
DOI10.3390/cryst9010037
Rok publikacji2019
Typ publikacjiartykuł w czasopiśmie
Otwarty dostęptak
Creative Commons
Czasopismo/seriaCrystals

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 transitionas well as the parent phosphide-arsenideswas 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 S-m and adiabatic temperature T-ad 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. Mossbauer 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 Mossbauer spectroscopy.

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