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Synergistic Insights into the Structural, Optical, and Magnetic Features of Iron-Modified Tin Oxide (Fe-SnO2) Nanoparticles: An Integrated Experimental and First Principles Investigation

  • Condensed Matter
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Abstract

The synthesis of SnO2 nanoparticles doped with varying concentrations of Fe was carried out using the sol–gel method. The resulting samples underwent analysis using X-ray diffraction (XRD), high-resolution transmission electron microscopy (HR-TEM), ultraviolet–visible spectroscopy (UV–Vis), diffuse reflectance spectroscopy (DRS), photoluminescence spectroscopy, and vibrating sample magnetometry. The purpose of this investigation was to examine the impact of doping on the structural, optical, and magnetic properties of the nanoparticles. The XRD study demonstrated a discernible alteration in the size of the crystalline structure as a function of the concentration of doping. The study revealed a noticeable variation in crystallite size, ranging from ~ 13 to 5 nm, as the Fe doping concentration increased from 0 to 7 mol%. This observation suggested that the rise in Fe content effectively hindered crystal development. The estimation of the optical band gap was performed using the Kubelka–Munk equation, revealing a decrease in the band gap for a specific doping concentration of Fe. The photoluminescence (PL) spectra obtained at room temperature indicated a red shift in the peak positions of the pristine SnO2 samples upon Fe doping. This observation provides confirmation of the reduction in the band gap of SnO2 resulting from the incorporation of Fe dopants. The nanoparticles doped with 5% Fe exhibited superior optical characteristics compared to the remaining samples. Furthermore, magnetic properties were determined by investigating magnetization vs. applied fields. Ferromagnetic interaction was observed in all the systems of SnO2 doped with Fe. To achieve a comprehensive understanding, the utilization of density functional theory was employed. The electronic states and density of states behavior were computed to accurately anticipate the arrangement of lattice sites and the corresponding presence of atoms. Theoretical computations were conducted using the VASP program.

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Acknowledgements

Author Pawan Chetri would like to acknowledge DST-SERB for funding project bearing file number SUR/2022/003142.

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Authors and Affiliations

  1. Dept of Physics, Debraj Roy College, Golaghat, India

    Pawan Chetri

  2. Dept. of Applied Sciences, HMR Institute of Technology and Management, Delhi, India

    Nishant Shukla

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  1. Pawan Chetri
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  2. Nishant Shukla
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Correspondence to Pawan Chetri or Nishant Shukla.

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Chetri, P., Shukla, N. Synergistic Insights into the Structural, Optical, and Magnetic Features of Iron-Modified Tin Oxide (Fe-SnO2) Nanoparticles: An Integrated Experimental and First Principles Investigation. Braz J Phys 54, 72 (2024). https://doi.org/10.1007/s13538-024-01449-3

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