First principal calculation and Monte Carlo simulations of the Magnetocaloric effect, Electronic and Magnetic properties in perovskite oxide Pr 0.65Sr 0.35MnO 3

Abstract

Abstract We have used the first principal calculation and Monte Carlo simulations (MCS) to investigate the magnetocaloric effect, electronic and magnetic properties of Pr 0.65Sr 0.35MnO 3 (PSMO) perovskite. The exchange-correlation potential was treated with the generalized gradient approximation (GGA) for the electronic and magnetic properties. The ferromagnetic phase of PSMO is half metallic with 100% spin polarization, which is important in the relation to the colossal magnetoresistance properties of this compound. The magnetic moment is obtained. The thermal variation of magnetization of PSMO has been obtained. The temperature dependence of the magnetic entropy change and the adiabatic temperature are obtained by MCS. The Curie temperature of PSMO has been deduced. The field dependence of relative cooling power PSMO has been obtained.