Abstract
LaFeO \(_3\) perovskite is a multiferroic oxide with structural, and optical properties, making the optimization of the synthesis process to obtain this type of material an important challenge in the field of materials science. In this work, the synthesis of simple perovskite compounds LaFeO \(_3\) with modification in the calcination step was investigated. This material was synthesized by the sol–gel citrate method with the addition of an ammonium salt as a pH-neutralizing agent during the formation of the solution. The orthorhombic crystal structure of the compound was confirmed by X-ray diffraction, Rietveld refinement and HRTEM image. The morphology of the compound was determined by chemical element dispersion using EDS. The band gap of the compound was calculated using UV–Vis radiation and the Tauc plot model. Computational simulations of LaFeO \(_3\) reproduce the experimental lattice parameters and band gap with high accuracy and also provide insight into the electronic applications. The integration of a refined synthesis protocol with theoretical validation shows a practical and efficient way to produce high-quality LaFeO \(_3\) powders for functional applications.
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