2016
DOI: 10.1103/physrevb.94.224424
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Large magnetic anisotropy predicted for rare-earth-free Fe16xCoxN2

Abstract: Structures and magnetic properties of Fe 16-x Co x N 2 are studied using adaptive genetic algorithm and first-principles calculations. We show that substituting Fe by Co in Fe 16 N 2 with Co/Fe ratio ≤ 1 can greatly improve the magnetic anisotropy of the material. The magnetocrystalline anisotropy energy from first-principles calculations reaches 3.18 MJ/m 3 (245.6 μeV per metal atom) for Fe 12 Co 4 N 2 , much larger than that of Fe 16 N 2 and is one of the largest among the reported rare-earth free magnets. F… Show more

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Cited by 51 publications
(22 citation statements)
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“…Following our results in Figure (a), we anticipate a slight increase of K in the green contour area ( a ≈5.63 Å and c ≈6.45 Å). Potential further increase of the magnetic anisotropy of Fe 16 N 2 is also predicted by other studies …”
supporting
confidence: 83%
“…Following our results in Figure (a), we anticipate a slight increase of K in the green contour area ( a ≈5.63 Å and c ≈6.45 Å). Potential further increase of the magnetic anisotropy of Fe 16 N 2 is also predicted by other studies …”
supporting
confidence: 83%
“…Among these, the Co 16 N 2 phase is being Electronic supplementary material The online version of this article (https ://doi.org/10.1007/s4245 2-019-1808-2) contains supplementary material, which is available to authorized users. explored recently [24], Co 2 N and Co 3 N have been studied by several co-workers [25][26][27][28][29]. The N-rich CoN 2 phase was recently synthesized under high pressure high temperature (30 GPa, 1600 K) [30].…”
Section: Introductionmentioning
confidence: 99%
“…Recently, several Fe-based RE-free compounds such as Fe-Co-X (X being B, C or N) [2][3][4][5][6][7], Fe(Co)Pt [8], and Fe 2 P [9] have been studied intensively as potential permanent magnet materials. These studies have demonstrated that the MAE of Fe can be improved substantially by allowing with other non-magnetic elements.…”
Section: Introductionmentioning
confidence: 99%