A first principle study: Effect of tin substitution on magnetic properties of bismuth ferrite nanoparticles prepared by sol-gel synthesis method

Abstract

Sn substituted BiFeO3 nanocomposite successfully prepared by improved sol-gel method. Structural and morphological analyses revealed the transformation from perovskite rhombohedral to orthorhombic crystal structure by the addition of Sn in BiFeO3. Particle size decreases by the increase of Sn content. Measurement of dielectric analyses represents that the dielectric constant and dielectric loss of the prepared sample decreased by the increase in frequency. Magnetic properties measurements revealed the ferromagnetic trend. It represents large magnetization at initial Sn concentrations. Coercivity and squareness have been increased with an increase in Sn content. The computational method is used for the theoretical study of Sn substituted BiFeO3 nanocomposite. The first-principles calculations were done by using Vienna ab initio simulation package (VASP). Thus both the theoretical and experimental results propose that the magnetization of the prepared samples can be enhanced by Sn content. The resulting hard magnetic nanomaterials have importance in data storage devices.