Enhancing magnetic anisotropy and stability of α″-Fe16N2 phase by Co and V co-substitution
Source abstract
Abstract
Employing first-principles density functional calculations, we investigate critical effects of V and Co co-substitution on the structural stability and intrinsic magnetic properties of α″-phase Fe16N2. We demonstrate that only 1 or 2 V substitutes per formula unit stabilize the α″ phase and enhance uniaxial magnetic anisotropy (Ku) up to 1.1 MJ m−3, which is nearly 2 times that of 0.6 MJ m−3 in α″-Fe16N2. It is further predicted that Ku can even reach up to 1.8 MJ m−3 in Fe12V2Co2N2 with good stability. These results provide an instructive guideline for simultaneous enhancement of the structural stability and energy product in 3d-only permanent magnets.
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Research context
OpenAlex topics: Magnetic Properties of Alloys · Magnetic and transport properties of perovskites and related materials · Magnetic properties of thin films
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Physics, Incheon National University 1 , Incheon 22012, South Korea
Department of Physics, University of Ulsan 2 , Ulsan 44610, South Korea
Funding
National Research Foundation of Korea · Incheon National University
References (33)
Show source-provided references
1. New magnetic material having ultrahigh magnetic moment10.1063/1.1654030 ↗
2. 1964
3. 1994
4. 1999
5. 2010
6. The occurence and the crystal structure of α-iron nitride; a new type of interstitial alloy formed during the tempering of nitrogen-martensite10.1098/rspa.1951.0155 ↗
7. The effect of Ti addition on the thermal stability of α″-Fe16N210.1088/0022-3727/30/21/005 ↗
8. Enhancement of the thermal stability of Fe16N2 by Ti addition10.1016/s0304-8853(97)01025-1 ↗
9. Magnetic anisotropy in spherical Fe16N2 core–shell nanoparticles determined by torque measurements10.1016/j.jmmm.2006.10.1009 ↗
10. Perpendicular magnetic anisotropy and high spin-polarization ratio in epitaxial Fe-N thin films10.1103/physrevb.84.245310 ↗
11. Challenge to the synthesis of α″-Fe16N2 compound nanoparticle with high saturation magnetization for rare earth free new permanent magnetic material10.7567/apex.6.073007 ↗
12. New material for permanent magnets on a base of Nd and Fe10.1063/1.333572 ↗
13. Magnetocrystalline anisotropy of R2Fe14B tetragonal compounds10.1063/1.95015 ↗
14. Engineering of magnetostriction in Fe3Pt1−xIrx by controlling the Ir concentration10.1063/1.3578190 ↗
15. Extremely large perpendicular magnetic anisotropy of an Fe(001) surface capped by 5d transition metal monolayers: A density functional study10.1103/physrevb.88.184405 ↗
16. Enhancing energy product and thermal stability of SmFe12 by interstitial doping10.1103/physrevapplied.13.054076 ↗
17. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/physrevb.54.11169 ↗
18. Generalized gradient approximation made simple10.1103/physrevlett.77.3865 ↗
19. A technique for relativistic spin-polarised calculations10.1088/0022-3719/10/16/019 ↗
20. The magnetization of bulk α″-Fe16N210.1063/1.358156 ↗
21. Theoretical study of the microscopic origin of magnetocrystalline anisotropy in Fe16N2 and its alloys: Comparison with the other L10 alloys10.1088/1361-648x/ab422c ↗
22. Theoretical investigation into the possibility of very large moments of Fe16N210.1103/physrevb.86.174422 ↗
23. Effects of alloying and strain on the magnetic properties of Fe16N210.1103/physrevb.88.024404 ↗
24. DFT calculation and experimental investigation of Mn doping effect in Fe16N210.1063/1.4943059 ↗
25. Magnetic properties of rare-earth-iron-boron permanent magnet materials10.1063/1.334629 ↗
26. On the stable compostions in transition metal-nitrogen phase diagrams10.1016/0022-5088(79)90112-7 ↗
27. The enthalpy of formation of solid borides, carbides, nitrides, silicides, and phosphides of transition and noble metals10.1016/0022-5088(81)90200-9 ↗
28. Large magnetic anisotropy predicted for rare-earth-free Fe16−xCoxN2 alloys10.1103/physrevb.94.224424 ↗
29. Prediction of a rare-earth free high performance permanent magnet: Stabilizing (Fe1−xNix)16N2 across α′′ to L10 phase transition
30. Tight-binding approach to the orbital magnetic moment and magnetocrystalline anisotropy of transition-metal monolayers10.1103/physrevb.39.865 ↗
31. First-principles theory of surface magnetocrystalline anisotropy and the diatomic-pair model10.1103/physrevb.47.14932 ↗
32. Jahn-Teller driven perpendicular magnetocrystalline anisotropy in metastable ruthenium10.1103/physrevb.91.014437 ↗
33. First-principles prediction of possible rare-earth free permanent magnet of tetragonal FeCo with enhanced magnetic anisotropy and energy product through interstitial nitrogen10.1103/physrevapplied.11.054085 ↗