Effects of Sm Doped LaSrMnO₃ on magnetic properties

Abstract

The effect samarium (Sm) doping on the A-site of the LaSrMnO₃ manganites was studied by using Density Functional Theory (DFT) in Quantum ESPRESSO software. The influence of the substitution of Sm atom for La atom on-crystal structures and magnetic properties were investigated by comparing the total energy calculated of different atomic positions. The results showed that the crystal structure of LaSmSrMnO₃ to have an orthorhombically distorted perovskite structure. The substitution of magnetic rare earth element for La atom resulted in the ferromagnetic spin ordering arrangement of the manganites.