• Journal of the Korean Magnetics Society
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• v.26 no.4
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• pp.115-118
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• 2016

We investigated the magnetocrystalline anisotropy of pure ${\alpha}^{{\prime}{\prime}}-Fe_{16}N_2$ by using full-potential linearized augmented plane wave method (FLAPW). A very high magnetic moment was obtained for Fe (4d) site due to the lattice expansion in the z-direction, while the magnetic moment of Fe (4e) and (8h) site were suppressed due to hybridization with neighboring N atom. The calculated spin magnetic moments for different Fe sites (4d, 4e and 8h) were in good agreement with previously reported values. Due to the tetragonal distortion, we found a very large uniaxial anisotropy constant of $0.58MJ/m^3$. Besides, a high value of magnetization of 1.76MA/m was obtained. In additon, the estimated coercive field and maximum energy product of 6.51 kOe and 71.7 MGOe were obtained for pure ${\alpha}^{{\prime}{\prime}}-Fe_{16}N_2$. This may suggest that the ${\alpha}^{{\prime}{\prime}}-Fe_{16}N_2$ can be utilized for potential rare-earth free permanent magnet material.