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Synthesis, Characterization, and Magnetocaloric Properties of Double Perovskite BaSrNiMoO6 for Magnetic Refrigeration Applications

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Abstract

Double perovskites with the general formula A2BB′O6 have been the subject of several studies for of their magnetic properties. In this work, Ba2NiMoO6 was synthesized using the solid-state reaction method. At room temperature, the structural refinement reveals a cubic crystal, space group Fm-3 m, with a = 7.89 Å. The magnetic, electronic, elastic, and thermoelectric properties have been studied using the density functional theory (DFT) and Monte Carlo simulations. The result shows an antiferromagnetic insulator behavior. The anti-ferromagnetic ordering was explained by super exchange processes, between the half-filled eg orbitals of Ni2+ following the Goodenough-Kanamori rules. The electronic profile shows an insulator nature with an indirect band gap. The obtained value of band gap is 2.1 eV. The elastic constants Cij and their derived parameters show a high mechanical stability, a ductile behavior, and a weak elastic anisotropy. The magnetic and magnetocaloric properties have been investigated. The obtained temperature transition (TN \(\sim 66K\)) is comparable to the experiment results. The ΔSmax value increases with the magnetic field h its rises from − ΔSmax = 0.05 J/kg.K at h = 1 T to − ΔSmax = 0.72 J/kg.K at h = 5 T, which is essential for magnetic refrigeration. Finally, a further analysis of thermal conductivity, figure of merit, Seebeck coefficient, and electrical conductivity were also reported.

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Authors and Affiliations

  1. Laboratory of Chemistry and Physics of Materials LCPM, Faculty of Sciences, Department of Chemistry, University of Casablanca, Casablanca, Morocco

    A. Harbi & M. Moutaabbid

  2. Laboratory of Solid Physics, Faculty of Sciences, Sidi Mohamed Ben Abdellah University, BP 1796, Fez, Morocco

    A. Azouaoui, Y. Toual & A. Hourmatallah

  3. Ecole Normale Supérieure, BP 5206, Fes, Morocco

    A. Hourmatallah

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Harbi, A., Azouaoui, A., Toual, Y. et al. Synthesis, Characterization, and Magnetocaloric Properties of Double Perovskite BaSrNiMoO6 for Magnetic Refrigeration Applications. J Supercond Nov Magn 36, 1171–1179 (2023). https://doi.org/10.1007/s10948-023-06546-z

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