Tuning the Magnetic Properties and Structural Stabilities of the 2-17-3 Magnets Sm2Fe17X3 (X=C, N) by Substituting La or Ce for Sm

Pandey, Tribhuwan; Du, Mao-Hua; Parker, David S.

doi:10.1103/PhysRevApplied.9.034002

Title: Tuning the Magnetic Properties and Structural Stabilities of the 2-17-3 Magnets Sm₂Fe₁₇X₃ (X=C, N) by Substituting La or Ce for Sm

Journal Article · Mon Mar 05 00:00:00 EST 2018 · Physical Review Applied

DOI:https://doi.org/10.1103/PhysRevApplied.9.034002· OSTI ID:1426581

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division

Designing a permanent magnet with reduced critical rare-earth content is of paramount importance in the development of cost-effective modern technologies. By performing comprehensive first-principles calculations, we investigate the potential avenues for reducing the critical rare-earth content in Sm₂Fe₁₇N₃ and Sm₂Fe₁₇C₃ by making a La or Ce substitution for Sm. The calculated magnetic properties of base compounds are in good agreement with the previous low-temperature (4.2-K) experimental measurements, and they show a large axial anisotropy. Although La or Ce substitution results in a slight reduction of magnetic anisotropy, the magnetic moments of Fe atoms mostly remain unchanged. Specifically, large axial anisotropies of 7.2 and 4.1 MJ/m³ are obtained for SmCeFe₁₇N₃ and SmLaFe₁₇N₃, respectively. These values of anisotropies are comparable to the state-of-the-art permanent magnet Nd₂Fe₁₄B. The foremost limitation of Sm₂Fe₁₇X₃ magnets for practical application is the formation nitrogen or carbon vacancies at high temperatures. By calculating the N- (C)- vacancy formation energy, we show that La or Ce substitution enhances the vacancy formation energy. Here, this enhanced vacancy formation energy will likely improve the thermodynamic stability of these alloys at high temperatures. Therefore, La- or Ce-substituted Sm₂Fe₁₇C₃ and Sm₂Fe₁₇N₃ compounds are promising candidates for high-performance permanent magnets with substantially reduced rare-earth content.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1426581

Alternate ID(s):: OSTI ID: 1423720

Journal Information:: Physical Review Applied, Vol. 9, Issue 3; ISSN 2331-7019

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 28 works

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