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

• Published in: Physica A Vol. 573; p. 125936
• Main Authors: Kadim, G., Masrour, R., Jabar, A., Hlil, E.K.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.07.2021; Elsevier
• Subjects: Ab initio; Condensed Matter; La0.75Sr0.25MnO3 perovskite; Magnetocaloric effect; Materials Science; Monte Carlo; Physics; Simulation; Ab initio; La0.75Sr0.25MnO3 perovskite; Monte Carlo; Simulation; Magnetocaloric effect
• ISSN: 0378-4371; 1873-2119; 0378-4371
• DOI: 10.1016/j.physa.2021.125936

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. •La0.75Sr0.25MnO3 has been studied using ab-initio calculations and Monte Carlo simulations.•The magnetic and magnetocaloric properties of La0.75Sr0.25MnO3 are studied using MCs.•Electronic properties show that La0.75Sr0.25MnO3 is half-metal with 100% polarization.•Curie temperature obtained by MCs is in good agreement with experimental value.•We show theoretically that the La0.75Sr0.25MnO3 has a larger MCE.•Our system could be a powerful candidate for magnetic refrigeration close to room temperature.