BAND-STRUCTURE CALCULATION OF THE MAGNETOCRYSTALLINE ANISOTROPY ENERGY OF Fe3N

Abstract
The magnetic properties of the ferromagnetic nitride Fe3N were investigated by means of the ASW method where the spin-orbit coupling enters the variational part of the self-consistent loop. The calculations of magnetocrystalline anisotropy energy were done for different values of the angle between magnetization and the c axis of the hexagonal structure. The easy axis of magnetization was found along this c axis. A least-square fit of the results allowed us to determine the relative contributions of first and second order anisotropy constants.

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