On the orbital magnetic moment and anisotropy energy of the ordered Fe0.5Pd0.5 alloy

Abstract We haved calculated the magnetic moments and magnetic anisotropy energy (MAE) of the ordered Fe 0.5 Pd 0.5 alloy by using relativistic linear muffin-tin orbital and full-potential linear augmented plane wave methods and also including the orbital polarization correction (OPC) and the generalized gradiant approximation. The OPC substantially increases the Fe orbital moments in the alloy, thereby reducing the discrepancy between the measured and theoretical orbital moments. For all the lattice parameters considered, the [0 0 1] direction is found to be the easy axis, thus showing no spin-reorientation transition as suggested recently. The calculated MAE agrees with experiments.