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<p>Nickel ferrite (NiFe<sub>2</sub>O<sub>4</sub>), one of the very important ferrite materials, has been considered for many applications, such as high-density magnetic storage media, MRI contrast agents, color imaging, ferrofluids, high-frequency devices, magnetic refrigerators, catalysts, and microwave devices. We applied theoretical and experimental approaches to study the structural, magnetic, dielectric, and electrical properties of nickel ferrite (NiFe<sub>2</sub>O<sub>4</sub>). The sol–gel method was employed to synthesize nickel ferrite (NiFe₂O₄). Various experimental analyses, including X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), and vibrating magnetometry (VSM), were carried out to investigate its different properties. Theoretical approaches such as Density Functional Theory (DFT) using CASTEP codes with other approximations, including generalized gradient approximation (GGA), local spin-density approximation (LSDA), and local density approximation (LDA), were employed. XRD showed the FCC structure of the prepared material with a lattice constant of 8.20&#xa0;Å that corresponds to the fd-3&#xa0;m space group. The FT-IR spectrum confirmed the absorption peak at 598&#xa0;cm⁻<sup>1</sup> because of octahedral sites present in the inverse spinel NiFe₂O₄. For the investigation of surface morphology, SEM was used that showed the agglomeration with varying sizes of particles. VSM confirmed the soft magnetic nature of the prepared material with its magnetic moment of 2.63, and the M–H loop was used to derive the magnetic properties of the sample. Using various approximations, all work was done in CASTEP code and theoretically DFT was employed. We had shifted to using GGA, which yields dependable consequences that are in best accord with the experimental results, because LSDA failed to explain the magnetic structure of the current compound. These outcomes include band gap, lattice parameters, electrical properties, and magnetic properties. Dielectric constant and dielectric loss were observed to decrease with frequency and increase with temperature, following Koop’s theory. Furthermore, AC conductivity was also studied at varying frequencies at different temperatures.</p>

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Synthesis, DFT calculations, magnetic, and high-frequency dielectric properties of nickel ferrite (NiFe2O4)

  • 期刊论文

  • 发表日期：

    2025年10月15日

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  • Muhammad Asif,
  • Wasif Irshad,
  • Muhammad Iqbal Asif,
  • Atiq ur Rehman,
  • Rasmiah S. Almufarij,
  • Yousef Mohammed Alanazi,
  • Rizwan Ul Hassan,
  • Mukhtar Ahmad,
  • Ghulam Abbas Ashraf,
  • Doniyor Jumanazarov,
  • Farruh Atamurotov

摘要

Nickel ferrite (NiFe2O4), one of the very important ferrite materials, has been considered for many applications, such as high-density magnetic storage media, MRI contrast agents, color imaging, ferrofluids, high-frequency devices, magnetic refrigerators, catalysts, and microwave devices. We applied theoretical and experimental approaches to study the structural, magnetic, dielectric, and electrical properties of nickel ferrite (NiFe2O4). The sol–gel method was employed to synthesize nickel ferrite (NiFe₂O₄). Various experimental analyses, including X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), and vibrating magnetometry (VSM), were carried out to investigate its different properties. Theoretical approaches such as Density Functional Theory (DFT) using CASTEP codes with other approximations, including generalized gradient approximation (GGA), local spin-density approximation (LSDA), and local density approximation (LDA), were employed. XRD showed the FCC structure of the prepared material with a lattice constant of 8.20 Å that corresponds to the fd-3 m space group. The FT-IR spectrum confirmed the absorption peak at 598 cm⁻1 because of octahedral sites present in the inverse spinel NiFe₂O₄. For the investigation of surface morphology, SEM was used that showed the agglomeration with varying sizes of particles. VSM confirmed the soft magnetic nature of the prepared material with its magnetic moment of 2.63, and the M–H loop was used to derive the magnetic properties of the sample. Using various approximations, all work was done in CASTEP code and theoretically DFT was employed. We had shifted to using GGA, which yields dependable consequences that are in best accord with the experimental results, because LSDA failed to explain the magnetic structure of the current compound. These outcomes include band gap, lattice parameters, electrical properties, and magnetic properties. Dielectric constant and dielectric loss were observed to decrease with frequency and increase with temperature, following Koop’s theory. Furthermore, AC conductivity was also studied at varying frequencies at different temperatures.