Experimental and first-principles study of the origin of the magnetic properties of CoFe 2 O 4 spinel ferrite
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Experimental and first‑principles study of the origin of the magnetic properties of CoFe2O4 spinel ferrite K. Aghrich1 · M. Abdellaoui2 · N. Mamouni2 · A. Bellaouchou3 · M. Fekhaoui1 · E. K. Hlil4 · O. Mounkachi2 Received: 21 July 2020 / Accepted: 27 October 2020 © Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract CoFe2O4 nanoparticles were prepared by the co-precipitation method, the structural properties were performed using X-Ray Diffraction (DRX) in the goal to prove the success of Cobalt ferrite formation and determine crystal parameters. The size and morphological study were building using Scanning Electron Microscopy (SEM). The magnetic properties were carried using MPMS SQUID device. The CoFe2O4 nanoparticles present a ferromagnetic behavior below their transition temperature and values of 3 µB of total magnetic moment were achieved under magnetic field of 5 T. Based on the full-potential linearized augmented plane wave (FP-LAPW) method, with the generalized gradient and GGA-PBE approximation, the electronic structure and local magnetic moment were calculated. This theoretical study contributed to a better understanding the role of magnetic interaction sin CoFe2O4 spinel ferrites. Moreover, the theoretical magnetic properties of CoFe2O4 show a good agreement with the experimental results obtained. Keywords Ferrite spinel · Co-precipitation · DFT · Electronic properties · Magnetic properties
1 Introduction Ferrite compounds have been known to hold outstanding properties in them such as their high magnetic moment and electrical resistivity in addition of being a very stable chemical compounds. Among the most studied materials, we find that M Fe2O4 type spinel ferrites have the advantage of existing in solid form, nanoparticles, thin layer and even in core–shell form which give them the possibility of being used in various fields [1, 2]. For such reasons, ferrites have been extensively studied and used in many * M. Abdellaoui [email protected] 1
Department of Scientific Institute, Mohammed V University, Ibn Battouta Avenue, P.O. Box 1014, Rabat, Morocco
2
Laboratory of Condensed Matter and Interdisciplinary Sciences (LaMCScI), FacultyofSciences, Mohammed V University, Ibn Battouta Avenue, P.O. Box 1014, Rabat, Morocco
3
Laboratory of Materials, Nanotechnologies and Environment, FacultyofSciences, Mohammed V University, Ibn Battouta Avenue, P.O. Box 1014, Rabat, Morocco
4
Institut Néel, CNRS et Université Joseph Fourier, BP 166, 38042 Grenoble Cedex 9, France
technological applications such as magnetic refrigeration [3], photocatalytic water splitting [4], spintronics [5], and many others applications [6–9]. More specifically, cobalt ferrite (CoFe2O4) has been widely studied due to its high electromagnetic performance, excellent chemical stability, mechanical hardness, and high cubic magneto crystalline anisotropy [10, 11]. These properties, among others, make CoFe2O4 a promising candidate in permanent magnet application where such properties are
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