Spin-orbit coupling and electronic properties in Pt2MnGa: an ab-initio study

Abstract

The electronic and magnetic properties of full-Heusler alloy Pt2MnGa with and without the effect of spin–orbit coupling are studied. The calculations have been carried out using ab initio density functional theory. Both the magnetic spin orders of Pt2MnGa, ferromagnetic and antiferromagnetic, are considered. It is found that the ferromagnetic spin arrangement is the most stable spin order at the ground state, regardless of the incorporation of spin–orbit coupling. The density of states and band structure plots are used to validate the obtained ground state structure, which is further validated by the Bader charge analysis and the charge density distribution of the individual atoms. The obtained results of magnetocrystalline anisotropy energy, total magnetic moment, Curie temperature, and the spin-polarization hint at the possible application of this compound in spintronics devices such as bit-patterned media.