Abstract

The magnetocrystalline anisotropy (MCA) of Ir-doped α-Fe2O3 is studied using first principles calculations. The MCA energy (MCAE) increases with increasing Ir content and is 1.76 MJ/m3 at an Ir content of 8%, which is approximately 6 times that of undoped α-Fe2O3. This giant enhancement of the MCAE of Ir-doped α-Fe2O3 is due to the appearance of an Ir impurity level within the band gap of undoped α-Fe2O3. The MCAE of the induced spin polarization at Ir atoms makes the dominant contribution to the giant enhancement of the total MCA.

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