Abstract
The materials having high magnetic anisotropy energy are prospective materials for application in non-volatile memory technologies. In this report, the effect of spin–orbit coupling (SOC) on electronic and collinear magnetic properties of the inverse tetragonal Heusler compound Mn2PtSn with different spin orders has been studied with the help of density functional theory calculations using the Vienna ab initio simulation package. We have found that the ferrimagnetic (FiM) spin order is more stable at the ground state than the ferro- and antiferromagnetic order, irrespective of the inclusion of SOC. All the results are explained by examining the density of states, and bandstructure plots, supported by the charge density distribution of the atoms and Bader charge analysis. A significant value of magnetocrystalline anisotropy (MCA) energy of around 58.48 Merg cm−3 is obtained for the FiM spin order. The small total magnetic moment and high MCA energy make this magnetic ordering suitable for spin-transfer-torque based devices.
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