Assessment of magnetism and magnetocrystalline anisotropy of (Mn $$_x$$ Fe $$_{1-x}$$ ) $$_2$$ P $$_{1-y}$$ Si $$_y$$ (x,y = 0 or 1/3) compounds for permanent magnets
Abstract In order to calculate the prospects for new transition-metal rich and rare-earth free permanent magnets, we have investigated the electronic and magnetic properties of Fe $$_{2}$$ P and related Mn- or/and Si-substituted compounds using full potential linearized augmented plane wave (FPLAPW)...
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| Format: | Article |
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Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-025-86836-9 |
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| author | Priti Rani Ali H. Reshak Renu Singla Jyoti Thakur Sarvesh Kumar Timothy A. Hackett Dania Ali Manish K. Kashyap |
| author_facet | Priti Rani Ali H. Reshak Renu Singla Jyoti Thakur Sarvesh Kumar Timothy A. Hackett Dania Ali Manish K. Kashyap |
| author_sort | Priti Rani |
| collection | DOAJ |
| description | Abstract In order to calculate the prospects for new transition-metal rich and rare-earth free permanent magnets, we have investigated the electronic and magnetic properties of Fe $$_{2}$$ P and related Mn- or/and Si-substituted compounds using full potential linearized augmented plane wave (FPLAPW) method under generalized gradient approximation (GGA) exchange-correlation (XC) functional. In agreement with the experiment, our calculated total magnetic moment and magnetocrystalline anisotropy (MCA) for Fe $$_{2}$$ P are found to be 3.03 $$\mu$$ $$_B$$ /f.u. and 538 $$\mu$$ eV/f.u. (2.58 MJ/m $$^{3}$$ ), respectively. We find that the substitution of Mn or/and Si in Fe $$_{2}$$ P not only enhances the magnetization but also boosts the maximum energy product by preserving the hard magnetic behavior. Our theoretical predictions provide useful insights to enhance magnetization with tolerable loss of MCA for Mn or/and Si substituted Fe $$_{2}$$ P. Thus, we propose rare-earth free prospective candidates for permanent magnets through Fe $$_{2}$$ P based compounds. |
| format | Article |
| id | doaj-art-ed39c38732304ed8bb2e710b23adfb77 |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-ed39c38732304ed8bb2e710b23adfb772025-08-20T03:45:24ZengNature PortfolioScientific Reports2045-23222025-07-0115111210.1038/s41598-025-86836-9Assessment of magnetism and magnetocrystalline anisotropy of (Mn $$_x$$ Fe $$_{1-x}$$ ) $$_2$$ P $$_{1-y}$$ Si $$_y$$ (x,y = 0 or 1/3) compounds for permanent magnetsPriti Rani0Ali H. Reshak1Renu Singla2Jyoti Thakur3Sarvesh Kumar4Timothy A. Hackett5Dania Ali6Manish K. Kashyap7Department of Physics, Kurukshetra UniversityPhysics Department, College of Science, University of BasrahDepartment of Physics, Kurukshetra UniversityDepartment of Physics, District Institute of Education and TrainingInter-University Accelerator CentreDepartment of Biochemistry, University of Nebraska-LincolnFaculty of Medicine, Charles UniversityDepartment of Physics, Kurukshetra UniversityAbstract In order to calculate the prospects for new transition-metal rich and rare-earth free permanent magnets, we have investigated the electronic and magnetic properties of Fe $$_{2}$$ P and related Mn- or/and Si-substituted compounds using full potential linearized augmented plane wave (FPLAPW) method under generalized gradient approximation (GGA) exchange-correlation (XC) functional. In agreement with the experiment, our calculated total magnetic moment and magnetocrystalline anisotropy (MCA) for Fe $$_{2}$$ P are found to be 3.03 $$\mu$$ $$_B$$ /f.u. and 538 $$\mu$$ eV/f.u. (2.58 MJ/m $$^{3}$$ ), respectively. We find that the substitution of Mn or/and Si in Fe $$_{2}$$ P not only enhances the magnetization but also boosts the maximum energy product by preserving the hard magnetic behavior. Our theoretical predictions provide useful insights to enhance magnetization with tolerable loss of MCA for Mn or/and Si substituted Fe $$_{2}$$ P. Thus, we propose rare-earth free prospective candidates for permanent magnets through Fe $$_{2}$$ P based compounds.https://doi.org/10.1038/s41598-025-86836-9 |
| spellingShingle | Priti Rani Ali H. Reshak Renu Singla Jyoti Thakur Sarvesh Kumar Timothy A. Hackett Dania Ali Manish K. Kashyap Assessment of magnetism and magnetocrystalline anisotropy of (Mn $$_x$$ Fe $$_{1-x}$$ ) $$_2$$ P $$_{1-y}$$ Si $$_y$$ (x,y = 0 or 1/3) compounds for permanent magnets Scientific Reports |
| title | Assessment of magnetism and magnetocrystalline anisotropy of (Mn $$_x$$ Fe $$_{1-x}$$ ) $$_2$$ P $$_{1-y}$$ Si $$_y$$ (x,y = 0 or 1/3) compounds for permanent magnets |
| title_full | Assessment of magnetism and magnetocrystalline anisotropy of (Mn $$_x$$ Fe $$_{1-x}$$ ) $$_2$$ P $$_{1-y}$$ Si $$_y$$ (x,y = 0 or 1/3) compounds for permanent magnets |
| title_fullStr | Assessment of magnetism and magnetocrystalline anisotropy of (Mn $$_x$$ Fe $$_{1-x}$$ ) $$_2$$ P $$_{1-y}$$ Si $$_y$$ (x,y = 0 or 1/3) compounds for permanent magnets |
| title_full_unstemmed | Assessment of magnetism and magnetocrystalline anisotropy of (Mn $$_x$$ Fe $$_{1-x}$$ ) $$_2$$ P $$_{1-y}$$ Si $$_y$$ (x,y = 0 or 1/3) compounds for permanent magnets |
| title_short | Assessment of magnetism and magnetocrystalline anisotropy of (Mn $$_x$$ Fe $$_{1-x}$$ ) $$_2$$ P $$_{1-y}$$ Si $$_y$$ (x,y = 0 or 1/3) compounds for permanent magnets |
| title_sort | assessment of magnetism and magnetocrystalline anisotropy of mn x fe 1 x 2 p 1 y si y x y 0 or 1 3 compounds for permanent magnets |
| url | https://doi.org/10.1038/s41598-025-86836-9 |
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