Abstract
The pressure effect on the structural, electronic and magnetic properties of Mn2PdSn Heusler alloy was investigated by the first-principles full-potential linearized augmented plane wave (FP-LAPW) method based on density functional theory (DFT). The exchange and correlation function has been chosen using generalized gradient approximation (GGA) within the parameterization of Perdew-burke-ernzerhof. The lattice constant, electronic density of state (DOS), and magnetic properties such as total magnetic moment were obtained under pressure. It was determined that the calculated lattice parameters are in good agreement with the literature. The Mn2PdSn is stable in the Hg2CuTi-type structure. Furthermore, we expect an extraordinary occurrence of pressure-induced metallic ferrimagnetism to half-metallic ferromagnetism transition in the cubic phase of Mn2PdSn alloy at hydrostatic pressures of 10 GPa.
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