| First-Principles Prediction of Possible Rare-Earth Free Permanent Magnet of Tetragonal FeCo with Enhanced Magnetic Anisotropy and Energy Product through Interstitial Nitrogen | |||||
| 작성자 | 김** | 작성일 | 2019-07-29 | 조회수 | 122 |
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Journal Article published 30 May 2019 in Physical Review Applied volume 11 issue 5
Research funded by National Research Foundation of Korea | Ministry of Science, ICT and Future Planning (2016M3D1A1027831)
AbstractPushing a uniaxial magnetic anisotropy (Ku) up to an order of meV per atom in bulk structures composed of only 3d magnetic elements with large saturation magnetization (μ0Ms) and Curie temperature (Tc) has been a long-term goal of hard permanent magnet and spintronics studies. Herein, using ab initio calculations, we predict an unexpectedly large Ku up to 1/2 meV/formula unit in B2-ordered tetragonal FeCo, which is even comparable to or more than 50% of those for the currently known permanent magnetic materials with 4d, 5d, and 4f orbitals. This large Ku is associated with an interplay mechanism of the Jahn-Teller-like tetragonal distortion induced by doping with an interstitial 2p-electron element, herein nitrogen as an example, and the strong orbital hybridization between 3d and 2p states. Our findings demonstrate the feasibility of significant enhancements on the magnetic anisotropy and energy product of 3d magnetic metals through the interstitial doping with 2p-electron nonmetal elements. |
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