Critical-Element-Free Permanent-Magnet Materials Based on Ce2Fe14B

Yin, Li; Yan, Jiaqiang; Sales, Brian C.; Parker, David S.

doi:10.1103/physrevapplied.17.064020

Critical-Element-Free Permanent-Magnet Materials Based on Ce₂Fe₁₄B

Journal Article · Thu Jun 09 04:00:00 EDT 2022 · Physical Review Applied

DOI:https://doi.org/10.1103/physrevapplied.17.064020· OSTI ID:1883922

^[1]; ^[1]; ^[1]; ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Developing a critical-element-free low-cost permanent magnet is an urgent necessity in view of rapidly developing technologies and the associated huge market demand for Nd₂Fe₁₄B-based magnets. Here, inspired by the abundant and low-cost nature of Ce and these high-performance Nd₂Fe₁₄B permanent magnets, we explore whether it is in fact possible to attain a useful performance in alloys based on the sister material Ce₂Fe₁₄B, employing both experimental and theoretical efforts. Experimentally, we study Ce₂Fe₁₄B with Co, La, and Zr substitutions. The Zr substitution is explored in view of Zr’s frequent role in enhancing magnetic anisotropy in permanent magnets, while the Co and La substitutions serve to remedy the too-low Curie point of 433 K in the base alloy. While we find no Zr-related anisotropy enhancement either experimentally or theoretically, the cosubstitution of La and Co indeed improves the Curie temperature as well as the magnetization, M_s, with a potential energy product as high as 38 MG Oe. These properties together suggest optimization of the alloy LaCeFe_12.7Co_1.3B (with only 7 wt % cobalt) as a critical-element-free permanent magnet. While the substituted elements do not enhance magnetic anisotropy, from theory, we find a substantial increase, to a first anisotropy constant, K1, as high as 4.24 MJ/m³, associated with Bi substitution for Ce. In this paper, our experimental and theoretical results demonstrate the great potential of La, Co, and Bi substitutions in developing low-cost and critical-element-free Ce₂Fe₁₄B-based permanent magnets.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1883922

Journal Information:: Physical Review Applied, Journal Name: Physical Review Applied Journal Issue: 6 Vol. 17; ISSN 2331-7019

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (48)

First-Principles Determination of Multicomponent Hydride Phase Diagrams: Application to the Li-Mg-N-H System R. Akbarzadeh, A.; Ozoliņš, V.; Wolverton, C. Advanced Materials, Vol. 19, Issue 20 https://doi.org/10.1002/adma.200700843	journal	September 2007
Nature of dependence of spin-orbit splittings on atomic number Sarma, D. D. Proceedings / Indian Academy of Sciences, Vol. 90, Issue 1 https://doi.org/10.1007/BF02841324	journal	January 1981
High-performance permanent magnets Goll, D.; Kronmüller, H. Naturwissenschaften, Vol. 87, Issue 10, p. 423-438 https://doi.org/10.1007/s001140050755	journal	November 2000
Magnetic behavior of R1.9Zr0.1Fe14B and R1.9Zr0.1Fe12Co2B compounds Jurczyk, M.; Wallace, W. E. Journal of Magnetism and Magnetic Materials, Vol. 59, Issue 3-4 https://doi.org/10.1016/0304-8853(86)90409-9	journal	June 1986
Crystal and magnetic structure of Ce2Fe14B and Lu2Fe14B Herbst, J. F.; Yelon, W. B. Journal of Magnetism and Magnetic Materials, Vol. 54-57 https://doi.org/10.1016/0304-8853(86)90712-2	journal	February 1986
Magnetic and crystallographic properties of substituted didymium2Fe12−xTxCo2B compounds (T = Si, V, Cr, Ta and W) Jurczyk, M. Journal of Magnetism and Magnetic Materials, Vol. 73, Issue 3 https://doi.org/10.1016/0304-8853(88)90104-7	journal	July 1988
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
An alternative way of linearizing the augmented plane-wave method Sjöstedt, E.; Nordström, L.; Singh, D. J. Solid State Communications, Vol. 114, Issue 1 https://doi.org/10.1016/S0038-1098(99)00577-3	journal	March 2000
Magnetic properties of Lu2Fe17 crystals Andreev, A. V.; Rafaja, D.; Kamarad, J. Journal of Alloys and Compounds, Vol. 361, Issue 1-2 https://doi.org/10.1016/S0925-8388(03)00419-5	journal	October 2003
Mixed-valence state of Ce and its individual atomic moments in Ce2Fe14B studied by soft X-ray magnetic circular dichroism Wang, J.; Liang, L.; Zhang, L. T. Intermetallics, Vol. 69 https://doi.org/10.1016/j.intermet.2015.10.009	journal	February 2016
High performance Nd-Fe-B permanent magnets without critical elements Pathak, Arjun K.; Gschneidner, K. A.; Khan, M. Journal of Alloys and Compounds, Vol. 668 https://doi.org/10.1016/j.jallcom.2016.01.194	journal	May 2016
Intrinsic magnetic properties of Ce2(Fe, Co)14B and its modifications by Ni and Cu Wang, Tian; Medraj, Mamoun Journal of Alloys and Compounds, Vol. 763 https://doi.org/10.1016/j.jallcom.2018.06.017	journal	September 2018
Magnetism in single crystal Ce2Fe17 with two types of magnetic ground states Makihara, Y.; Uwatoko, Y.; Matsuoka, H. Journal of Magnetism and Magnetic Materials, Vol. 272-276 https://doi.org/10.1016/j.jmmm.2003.11.197	journal	May 2004
Magnetic force microscopic study of Ce2(Fe, Co)14B, and its modifications by Ni and Cu Wang, Tian; Medraj, Mamoun Journal of Magnetism and Magnetic Materials, Vol. 460 https://doi.org/10.1016/j.jmmm.2018.03.058	journal	August 2018
Tuning the structure and intrinsic magnetic properties of Ce2Fe14B alloys by elimination of CeFe2 with La substitution Li, Zhi; Yue, Ming; Liu, Xubo Journal of Magnetism and Magnetic Materials, Vol. 505 https://doi.org/10.1016/j.jmmm.2020.166747	journal	July 2020
Permanent magnets: Plugging the gap Coey, J. M. D. Scripta Materialia, Vol. 67, Issue 6 https://doi.org/10.1016/j.scriptamat.2012.04.036	journal	September 2012
Magnetic anisotropy — How much is enough for a permanent magnet? Skomski, R.; Coey, J. M. D. Scripta Materialia, Vol. 112 https://doi.org/10.1016/j.scriptamat.2015.09.021	journal	February 2016
Li−Fe−P−O ₂ Phase Diagram from First Principles Calculations Ong, Shyue Ping; Wang, Lei; Kang, Byoungwoo Chemistry of Materials, Vol. 20, Issue 5 https://doi.org/10.1021/cm702327g	journal	February 2008
Atomic volume and allotropy of the elements Singman, Charles N. Journal of Chemical Education, Vol. 61, Issue 2 https://doi.org/10.1021/ed061p137	journal	February 1984
Ferromagnetism of Fe3Sn and Alloys Sales, Brian C.; Saparov, Bayrammurad; McGuire, Michael A. Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep07024	journal	November 2014
Manipulating Ce Valence in RE2Fe14B Tetragonal Compounds by La-Ce Co-doping: Resultant Crystallographic and Magnetic Anomaly Jin, Jiaying; Zhang, Yujing; Bai, Guohua Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep30194	journal	July 2016
Steric variation of the cerium valence in Ce₂Fe₁₄B and related compounds Capehart, T. W.; Mishra, R. K.; Meisner, G. P. Applied Physics Letters, Vol. 63, Issue 26 https://doi.org/10.1063/1.110075	journal	December 1993
Magnetization and magnetic anisotropy of R ₂ Fe ₁ ₄ B measured on single crystals Hirosawa, Satoshi; Matsuura, Yutaka; Yamamoto, Hitoshi Journal of Applied Physics, Vol. 59, Issue 3 https://doi.org/10.1063/1.336611	journal	February 1986
Structural and magnetic properties of R₂Fe_14−xT_xB (R=Nd, Y; T=Cr, Mn, Co, Ni, Al) Abache, C.; Oesterreicher, H. Journal of Applied Physics, Vol. 60, Issue 3 https://doi.org/10.1063/1.337353	journal	August 1986
Determination of the zirconium site in zirconium‐substituted Nd₂Fe₁₄B Capehart, T. W.; Mishra, R. K.; Pinkerton, F. E. Journal of Applied Physics, Vol. 73, Issue 10 https://doi.org/10.1063/1.352585	journal	May 1993
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy APL Materials, Vol. 1, Issue 1 https://doi.org/10.1063/1.4812323	journal	July 2013
Effect of atom substitutions on the magnetic properties in Ce₂Fe₁₇: Toward permanent magnet applications Yin, Li; Parker, David S. Journal of Applied Physics, Vol. 129, Issue 10 https://doi.org/10.1063/5.0042475	journal	March 2021
Towards high-performance permanent magnets without rare earths Kuz’min, M. D.; Skokov, K. P.; Jian, H. Journal of Physics: Condensed Matter, Vol. 26, Issue 6 https://doi.org/10.1088/0953-8984/26/6/064205	journal	January 2014
Borderline Magnetism: How Adding Mg to Paramagnetic Ce Co 3 Makes a 450-K Ferromagnet with Large Magnetic Anisotropy Pandey, Tribhuwan; Parker, David S. Physical Review Applied, Vol. 10, Issue 3 https://doi.org/10.1103/PhysRevApplied.10.034038	journal	September 2018
Single-Crystal Permanent Magnets: Extraordinary Magnetic Behavior in the Ta -, Cu -, and Fe -Substituted Ce Co 5 Systems Lamichhane, Tej N.; Onyszczak, Michael T.; Palasyuk, Olena Physical Review Applied, Vol. 11, Issue 1 https://doi.org/10.1103/PhysRevApplied.11.014052	journal	January 2019
Potential High-Performance Magnet: Fe - and Zr -Alloyed Ce 2 Co 17 Pandey, Tribhuwan; Parker, David S. Physical Review Applied, Vol. 13, Issue 3 https://doi.org/10.1103/PhysRevApplied.13.034039	journal	March 2020
Semihard Iron-Based Permanent-Magnet Materials Yin, Li; Juneja, Rinkle; Lindsay, Lucas Physical Review Applied, Vol. 15, Issue 2 https://doi.org/10.1103/PhysRevApplied.15.024012	journal	February 2021
Ce 3 − x Mg x Co 9 : Transformation of a Pauli Paramagnet into a Strong Permanent Magnet Lamichhane, Tej N.; Taufour, Valentin; Palasyuk, Andriy Physical Review Applied, Vol. 9, Issue 2 https://doi.org/10.1103/PhysRevApplied.9.024023	journal	February 2018
High-throughput and data-mining approach to predict new rare-earth free permanent magnets Vishina, Alena; Vekilova, Olga Yu.; Björkman, Torbjörn Physical Review B, Vol. 101, Issue 9 https://doi.org/10.1103/PhysRevB.101.094407	journal	March 2020
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Formation enthalpies by mixing GGA and GGA + U calculations Jain, Anubhav; Hautier, Geoffroy; Ong, Shyue Ping Physical Review B, Vol. 84, Issue 4 https://doi.org/10.1103/PhysRevB.84.045115	journal	July 2011
First-principles studies of phase stability and crystal structures in Li-Zn mixed-metal borohydrides Wang, Yongli; Zhang, Yongsheng; Wolverton, C. Physical Review B, Vol. 88, Issue 2 https://doi.org/10.1103/PhysRevB.88.024119	journal	July 2013
Systematic variation of spin-orbit coupling with d -orbital filling: Large inverse spin Hall effect in 3 d transition metals Du, Chunhui; Wang, Hailong; Yang, Fengyuan Physical Review B, Vol. 90, Issue 14 https://doi.org/10.1103/PhysRevB.90.140407	journal	October 2014
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Atomic Origin of Magnetocrystalline Anisotropy in Nd 2 Fe 14 B Haskel, D.; Lang, J. C.; Islam, Z. Physical Review Letters, Vol. 95, Issue 21 https://doi.org/10.1103/PhysRevLett.95.217207	journal	November 2005
Ab initio phase stabilities of Ce-based hard magnetic materials and comparison with experimental phase diagrams Sözen, Halil İbrahim; Ener, Semih; Maccari, Fernando Physical Review Materials, Vol. 3, Issue 8 https://doi.org/10.1103/PhysRevMaterials.3.084407	journal	August 2019
R 2 Fe 14 B materials: Intrinsic properties and technological aspects Herbst, J. F. Reviews of Modern Physics, Vol. 63, Issue 4 https://doi.org/10.1103/RevModPhys.63.819	journal	October 1991
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 44, Issue 6 https://doi.org/10.1107/S0021889811038970	journal	October 2011
Hard Magnetic Materials: A Perspective Coey, J. M. D. IEEE Transactions on Magnetics, Vol. 47, Issue 12 https://doi.org/10.1109/TMAG.2011.2166975	journal	December 2011
Magnetic anisotropy and magnetostriction in a Lu2Fe17 intermetallic single crystal Nikitin, S. A.; Tereshina, I. S.; Pankratov, N. Yu. Physics of the Solid State, Vol. 43, Issue 9 https://doi.org/10.1134/1.1402229	journal	September 2001
Intrinsic Magnetic Properties of Ce2Fe14B Modified by Al, Ni, or Si Orimoloye, Kayode; Ryan, Dominic; Pinkerton, Frederick Applied Sciences, Vol. 8, Issue 2 https://doi.org/10.3390/app8020205	journal	January 2018

Similar Records

Magnetic properties of Lutetium and Yttrium doped Ce₂Fe₁₄B magnets

Journal Article · Sun Feb 04 23:00:00 EST 2024 · OSTI ID:2406863

Magnetic properties of bulk, and rapidly solidified nanostructured (Nd_1-xCe_x)₂Fe_14-yCo_yB ribbons

Journal Article · Thu Nov 05 23:00:00 EST 2015 · Acta Materialia · OSTI ID:1227448

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 · Sun Mar 04 23:00:00 EST 2018 · Physical Review Applied · OSTI ID:1426581

Related Subjects

36 MATERIALS SCIENCE
Magnetic anisotropy
Permanent magnet

Critical-Element-Free Permanent-Magnet Materials Based on Ce2Fe14B

Citation Formats

References (48)

Similar Records

Related Subjects

Critical-Element-Free Permanent-Magnet Materials Based on Ce₂Fe₁₄B