Room-temperature large magnetocaloric, electronic and magnetic properties in La0.75Sr0.25MnO3 manganite: Ab initio calculations and Monte Carlo simulations

Abstract

By using the Ab initio and Monte Carlo calculations, we have studied the magnetism of the crystalline La0.75Sr0.25MnO3 perovskite. The ferromagnetic phase of La0.75Sr0.25MnO3 is half-metallic, which is important in the relation to the colossal magnetoresistance properties of this compound. The total magnetic moment and the exchange couplings deduced from ab initio calculations lead, by using Monte Carlo simulations, to a quantitative agreement with the experimental transition temperatures. The maximum magnetic entropy change and the specific heat are found to be 9.23 J K−1 kg −1 and 191 J mol −1 K−1, respectively for H=6 T. Our results suggest that this material a promising candidate for magnetic refrigeration application near to room temperature at moderate fields.