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

• Published in: Journal of superconductivity and novel magnetism Vol. 36; no. 4; pp. 1171 - 1179
• Main Authors: Harbi, A., Azouaoui, A., Toual, Y., Hourmatallah, A., Moutaabbid, M.
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.04.2023
• Subjects: Characterization and Evaluation of Materials; Condensed Matter Physics; Magnetic Materials; Magnetism; Physics; Physics and Astronomy; Review Article; Strongly Correlated Systems; Superconductivity; Entropy change; The elastic properties; Double perovskites; Magnetocaloric effect; Thermoelectric properties
• ISSN: 1557-1939; 1557-1947
• DOI: 10.1007/s10948-023-06546-z

Double perovskites with the general formula A 2 BB′O 6 have been the subject of several studies for of their magnetic properties. In this work, Ba 2 NiMoO 6 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 e g orbitals of Ni 2+ 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 C ij 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 (T N ∼ 66 K ) is comparable to the experiment results. The ΔS max value increases with the magnetic field h its rises from − ΔS max  = 0.05 J/kg.K at h  = 1 T to − ΔS max  = 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.