Magnetocaloric effect in metallic antiperovskite Mn3InC compound: Ab-initio study and Monte Carlo simulations. (March 2020) - Charif Alaoui, Y.
Abstract: The structural, electronic, magnetic and magnetocaloric properties of metallic anti-perovskite Mn3 InC compound are investigated using several theoretical methods such as: Ab-initio calculations and Monte Carlo simulations. Ternary manganese compounds Mn3 InC have the cubic perovskite crystal structure, in which the Mn atoms are located at the face centered positions, the In atoms on the cubic corners and the C atoms at the body centered positions. Using the first principle calculations, the magnetic moment and the exchange coupling interactions values are calculated. The total magnetization and the susceptibility of this compound are determined. The critical temperature obtained is in good agreement with the experimental results. Obviously, the magnetic entropy change and relative cooling power (RCP) values for different external magnetic fields are obtained around TC . Highlights: The electronic structural, magnetic and magnetocaloric properties of metallic anti-perovskite compound Mn3 InC are calculated. These properties are determined using Ab-initio calculations and Monte Carlo simulations. The total magnetization and the susceptibility of Mn3 InC compound are determined. The critical temperature obtained is in good agreement with the experimental results. The magnetic entropy change and relative cooling power (RCP) for different external magnetic fields are obtained around TC .