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.

采用溶胶-凝胶法合成了掺杂不同浓度 Fe 的SnO _{2纳米粒子。}使用 X 射线衍射 (XRD)、高分辨率透射电子显微镜 (HR-TEM)、紫外可见光谱 (UV-Vis)、漫反射光谱 (DRS)、光致发光光谱和振动样品磁强计对所得样品进行分析。本研究的目的是检查掺杂对纳米粒子的结构、光学和磁性特性的影响。XRD 研究表明，晶体结构的尺寸随着掺杂浓度的变化而发生明显变化。研究表明，随着 Fe 掺杂浓度从 0 mol% 增加到 7 mol%，微晶尺寸发生了显着变化，范围为 13 至 5 nm。这一观察结果表明，Fe 含量的增加有效地阻碍了晶体的发育。使用 Kubelka-Munk 方程进行光学带隙的估计，揭示了特定 Fe 掺杂浓度的带隙减小。_{室温下获得的光致发光（PL）光谱表明，Fe 掺杂后原始 SnO 2}样品的峰位置发生红移。该观察结果证实了由于Fe掺杂剂的掺入而导致SnO ₂的带隙减小。与其余样品相比，掺杂 5% Fe 的纳米颗粒表现出优异的光学特性。此外，通过研究磁化强度与外加磁场的关系来确定磁性。在所有掺杂Fe的SnO ₂体系中都观察到了铁磁相互作用。为了获得全面的理解，采用了密度泛函理论。计算电子态和态密度行为，以准确预测晶格位置的排列和相应的原子存在。使用VASP程序进行理论计算。