Magnetic and magnetocaloric effect of Ba[formula omitted]FeReO[formula omitted] double perovskite: Ab-initio and Monte Carlo studies

Abstract

In this paper, the double perovskite Ba2FeReO6 was studied using ab initio calculations and Monte Carlo simulation within the Ising model framework. The band structure and density of states of the compound were investigated. Moreover, energy calculations were employed to determine the magnetic anisotropy and exchange interactions for conducting a Monte Carlo study. The calculated curie temperature Tc of the compound is found 296 K, which agrees with the experimental value (Tc = 303 K). We have studied also the magnetic and magnetocaloric properties, the maximum entropy change (ΔSmax) and the relative cooling power (RCP) at a magnetic field of h=60 kOe are 4.28 J/kg K and 255 J/kg, respectively. Furthermore, the energy product was calculated using hysteresis loops. These findings suggest that Ba2FeReO6 is a competitive candidate material for magnetic refrigeration applications.