Magnetocaloric effect in Sr2TiMoO6 double perovskite.

Environmental friendly double perovskite Sr 2 TiMoO 6 has been studied by using the density functional theory with generalized gradient approximation (GGA+U) approaches, and the Monte Carlo simulation in the framework of Ising model. The parameter of the unit cell has been optimized. The value of the crystal field and the exchange coupling have been estimated from the partial electronic density of states and the energy calculations, respectively. The magnetic properties and the magnetocaloric effect of the compound have been also studied. The Relative cooling power has been performed. It is found that Sr 2 TiMoO 6 is an interesting material for the magnetic refrigeration applications. • DFT and Monte Carlo simulation in the framework of Ising model have been performed. • Magnetocaloric effect in double perovskite Sr 2 TiMoO 6 has been studied. • Magnetic entropy change and relative cooling power have been calculated. • Sr 2 TiMoO 6 is an interesting material for the magnetic refrigeration applications. [ABSTRACT FROM AUTHOR]