Study of Magnetocaloric Effect, Electronic and Magnetic Properties of Perovskite Ferrites

In our research, we employed the linear augmented plane wave method based on density functional theory (DFT) in conjunction with Monte Carlo simulations to investigate the magnetocaloric, electronic, and magnetic properties of the perovskite oxide Ba1-xSrxFeO3, where x ranged from 0 to 0.2. Our study incorporated various computational approaches, including spin polarization within the generalized gradient approximation (GGA), Hubbard approximation (GGA + U), and the modified Becke-Johnson potential (TB-mBJ). This study provides a comprehensive understanding of the magnetocaloric, electronic, and magnetic behaviors in Ba1-xSrxFeO3, shedding light on the impact of Sr substitution and offering valuable insights for potential applications.