Anisotropy and orbital moment in Sm-Co permanent magnets

Das, Bhaskar; Choudhary, Renu; Skomski, Ralph; Balasubramanian, Balamurugan; Pathak, Arjun K.; Paudyal, Durga; Sellmyer, David J.

doi:10.1103/PhysRevB.100.024419

Title: Anisotropy and orbital moment in Sm-Co permanent magnets

Journal Article · 18 July 2019 · Physical Review B

DOI: https://doi.org/10.1103/PhysRevB.100.024419 · OSTI ID:1542930

Das, Bhaskar ^[1]; Choudhary, Renu ^[2]; Skomski, Ralph ^[3]; Balasubramanian, Balamurugan ^[3]; Pathak, Arjun K. ^[2]; Paudyal, Durga ^[2]; Sellmyer, David J. ^[3]

Univ. of Nebraska, Lincoln, NE (United States); Ames Lab. and Iowa State Univ., Ames, IA (United States)
Ames Lab. and Iowa State Univ., Ames, IA (United States)
Univ. of Nebraska, Lincoln, NE (United States)

Structural and magnetic properties of iron-free and iron-substituted SmCo₅ have been investigated theoretically and experimentally. The nanocrystalline ribbons of SmCo_5–xFe_x(0 ≤ x ≤ 2), which were produced by rapid solidification, crystallize in the hexagonal CaCu5 structure for x ≤ 0.75. Small Fe additions (x = 0.25) substantially improve the coercivity, from 0.45 to 2.70 T, which we interpret as combined intrinsic and extrinsic effect. Most of our findings are consistent with past samarium-cobalt research, but some are at odds with findings that have seemingly been well established through decades of rare-earth transition-metal research. In particular, our local spin-density approximation with Hubbard parameter calculations indicate that the electronic structure of the Sm atoms violates Hund's rules and that the orbital moment is strongly quenched. Possible reasons for the apparent disagreement between theory and experiment are discussed. Here, we explicitly determine the dependence of the Sm 4$$f$$ charge distribution, arguing that an accurate density-functional description of SmCo₅ is a challenge to future research.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE)

Grant/Contract Number:: AC02-07CH11358; FG02-04ER46152; 1542182

OSTI ID:: 1542930

Alternate ID(s):: OSTI ID: 1546493

Report Number(s):: IS-J-9982; PRBMDO

Journal Information:: Physical Review B, Vol. 100, Issue 2; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 26 works

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References (56)

Nanomagnetics Skomski, R. Journal of Physics: Condensed Matter, Vol. 15, Issue 20 https://doi.org/10.1088/0953-8984/15/20/202	journal	May 2003
Formation and magnetic properties of metastable (TM)5Sm and (TM)7Sm2 (TM = Fe,Co) compounds Miyazaki, T.; Takahashi, Mikio; Xingbo, Yang Journal of Magnetism and Magnetic Materials, Vol. 75, Issue 1-2 https://doi.org/10.1016/0304-8853(88)90129-1	journal	November 1988
Charge distributions of crystal field states Walter, U. Zeitschrift f�r Physik B Condensed Matter, Vol. 62, Issue 3 https://doi.org/10.1007/BF01313451	journal	September 1986
Rare-earth magnets in present production and development Strnat, K. J. Journal of Magnetism and Magnetic Materials, Vol. 7, Issue 1-4 https://doi.org/10.1016/0304-8853(78)90218-4	journal	January 1978
A new model for the coercivity mechanism of Sm/sub 2/(Co,Fe,Cu,Zr)/sub 17/ magnets Katter, M.; Weber, J.; Assmus, W. IEEE Transactions on Magnetics, Vol. 32, Issue 5 https://doi.org/10.1109/20.539161	journal	January 1996
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
The superposition model of crystal fields Newman, D. J.; Ng, B. Reports on Progress in Physics, Vol. 52, Issue 6 https://doi.org/10.1088/0034-4885/52/6/002	journal	June 1989
Thermodynamics of SmCo5 compound doped with Fe and Ni: An ab initio study Landa, A.; Söderlind, P.; Parker, D. Journal of Alloys and Compounds, Vol. 765 https://doi.org/10.1016/j.jallcom.2018.06.264	journal	October 2018
Atomic structure and domain wall pinning in samarium-cobalt-based permanent magnets Duerrschnabel, M.; Yi, M.; Uestuener, K. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00059-9	journal	July 2017
Point-Charge Calculations of Energy Levels of Magnetic Ions in Crystalline Electric Fields Hutchings, Michael T. Solid State Physics https://doi.org/10.1016/S0081-1947(08)60517-2	book	January 1964
Exchange interactions in rare earth—transition metal compounds Duc, N. H.; Hien, T. D.; Givord, D. Journal of Magnetism and Magnetic Materials, Vol. 124, Issue 3 https://doi.org/10.1016/0304-8853(93)90131-K	journal	June 1993
Ab initio calculation of electronic structure, crystal field, and intrinsic magnetic properties of Sm 2 Fe 17 , Sm 2 Fe 17 N 3 , Sm 2 Fe 17 C 3 , and Sm 2 Co 17 Steinbeck, Lutz; Richter, Manuel; Nitzsche, Ulrike Physical Review B, Vol. 53, Issue 11 https://doi.org/10.1103/PhysRevB.53.7111	journal	March 1996
Coercivity calculation of Sm2(Co,Fe,Cu,Zr)17 magnets Katter, M. Journal of Applied Physics, Vol. 83, Issue 11 https://doi.org/10.1063/1.367762	journal	June 1998
Exchange Coupling and Magnetic Behavior of SmCo5-xSnx Alloys Zaigham, Hamid; Khalid, F. Ahmad Journal of Materials Science & Technology, Vol. 27, Issue 3 https://doi.org/10.1016/S1005-0302(11)60052-2	journal	January 2011
The Scherrer Formula for X-Ray Particle Size Determination Patterson, A. L. Physical Review, Vol. 56, Issue 10 https://doi.org/10.1103/PhysRev.56.978	journal	November 1939
Effects of doping on the magnetic anisotropy energy in SmCo 5 − x Fe x and YCo 5 − x Fe x Larson, P.; Mazin, I. I.; Papaconstantopoulos, D. A. Physical Review B, Vol. 69, Issue 13 https://doi.org/10.1103/PhysRevB.69.134408	journal	April 2004
Domain wall pinning in high temperature SM(Co, Fe, Cu, Zr)7-8 magnets Streibl, B.; Fidler, J.; Schrefl, T. Journal of Applied Physics, Vol. 87, Issue 9 https://doi.org/10.1063/1.373152	journal	May 2000
A Family of New Cobalt‐Base Permanent Magnet Materials Strnat, K.; Hoffer, G.; Olson, J. Journal of Applied Physics, Vol. 38, Issue 3 https://doi.org/10.1063/1.1709459	journal	March 1967
Ground-state properties of rare-earth metals: an evaluation of density-functional theory Söderlind, Per; Turchi, P. E. A.; Landa, A. Journal of Physics: Condensed Matter, Vol. 26, Issue 41 https://doi.org/10.1088/0953-8984/26/41/416001	journal	September 2014
Magnetic properties of SmCo5−xFex (x=0–4) melt-spun ribbon Saito, Tetsuji; Nishio-Hamane, Daisuke Journal of Alloys and Compounds, Vol. 585 https://doi.org/10.1016/j.jallcom.2013.09.183	journal	February 2014
Micromagnetic three-dimensional simulation of the pinning field in high temperature Sm(Co,Fe,Cu,Zr)[sub z] magnets Scholz, W.; Fidler, J.; Schrefl, T. Journal of Applied Physics, Vol. 91, Issue 10 https://doi.org/10.1063/1.1453326	journal	January 2002
Calculated electronic structure and magnetic properties of Y-Fe compounds Coehoorn, R. Physical Review B, Vol. 39, Issue 18 https://doi.org/10.1103/PhysRevB.39.13072	journal	June 1989
Simple Models of Magnetism Skomski, Ralph Oxford University Press https://doi.org/10.1093/acprof:oso/9780198570752.001.0001	book	January 2008
The effects of Cu doping on crystalline structure and magnetic properties of SmCo _5-x Cu _x thin films grown on Ru (0002) Yin, S. Q.; Wang, H.; Zhao, H. B. Journal of Applied Physics, Vol. 114, Issue 21 https://doi.org/10.1063/1.4833558	journal	December 2013
Rare earth-cobalt permanent magnets Strnat, Karl J.; Strnat, Reinhold M. W. Journal of Magnetism and Magnetic Materials, Vol. 100, Issue 1-3 https://doi.org/10.1016/0304-8853(91)90811-N	journal	November 1991
Microstructure of precipitation hardened cobalt rare earth permanent magnets Fidler, J.; Skalicky, P. Journal of Magnetism and Magnetic Materials, Vol. 27, Issue 2 https://doi.org/10.1016/0304-8853(82)90264-5	journal	May 1982
Prediction of the new efficient permanent magnet SmCoNiFe 3 Söderlind, P.; Landa, A.; Locht, I. L. M. Physical Review B, Vol. 96, Issue 10 https://doi.org/10.1103/PhysRevB.96.100404	journal	September 2017
Predicting the Future of Permanent-Magnet Materials Skomski, Ralph; Manchanda, Priyanka; Kumar, Pankaj K. IEEE Transactions on Magnetics, Vol. 49, Issue 7 https://doi.org/10.1109/TMAG.2013.2248139	journal	July 2013
Band structure theory of magnetism in 3d-4f compounds Richter, Manuel Journal of Physics D: Applied Physics, Vol. 31, Issue 9 https://doi.org/10.1088/0022-3727/31/9/002	journal	May 1998
Formation of metastable compounds and magnetic properties in rapidly quenched (Fe _{1− x} Co _x ) ₅ Sm and (Fe _{1− x} Co _x ) ₇ Sm ₂ alloy systems Miyazaki, T.; Takahashi, Mikio; Yang, Xingbo Journal of Applied Physics, Vol. 64, Issue 10 https://doi.org/10.1063/1.342167	journal	November 1988
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
Structure and magnetic properties of SmCo5−xCux alloys Téllez-Blanco, J. C.; Grössinger, R.; Sato Turtelli, R. Journal of Alloys and Compounds, Vol. 281, Issue 1 https://doi.org/10.1016/S0925-8388(98)00760-9	journal	November 1998
Rare Earth-Transition Metal Permanent Magnets Givord, D.; Laforest, J.; Li, H. S. Le Journal de Physique Colloques, Vol. 46, Issue C6 https://doi.org/10.1051/jphyscol:1985637	journal	September 1985
Sm–Co–Cu–Ti high-temperature permanent magnets Zhou, J.; Skomski, R.; Chen, C. Applied Physics Letters, Vol. 77, Issue 10 https://doi.org/10.1063/1.1290719	journal	September 2000
First principles study of transition-metal substitutions in Sm–Co permanent magnets Sabirianov, R. F.; Kashyap, A.; Skomski, R. Applied Physics Letters, Vol. 85, Issue 12 https://doi.org/10.1063/1.1792791	journal	September 2004
Intermetallic compounds of rare-earth and 3d transition metals Buschow, K. H. J. Reports on Progress in Physics, Vol. 40, Issue 10 https://doi.org/10.1088/0034-4885/40/10/002	journal	October 1977
Effect of the M/Co substitution on magnetocrystalline anisotropy and magnetization in SmCo5−xMx compounds (M=Ga;Al) Laslo, A.; Colin, C. V.; Isnard, O. Journal of Applied Physics, Vol. 107, Issue 9 https://doi.org/10.1063/1.3339776	journal	May 2010
Correlations in rare-earth transition-metal permanent magnets Skomski, R.; Manchanda, P.; Kashyap, A. Journal of Applied Physics, Vol. 117, Issue 17 https://doi.org/10.1063/1.4917003	journal	May 2015
Crystal-field anisotropy of Sm3+ in SmCo5 Buschow, K. H. J.; van Diepen, A. M.; de Wijn, H. W. Solid State Communications, Vol. 15, Issue 5 https://doi.org/10.1016/0038-1098(74)90690-5	journal	September 1974
Magnetic Materials and Devices for the 21st Century: Stronger, Lighter, and More Energy Efficient Gutfleisch, Oliver; Willard, Matthew A.; Brück, Ekkes Advanced Materials, Vol. 23, Issue 7 https://doi.org/10.1002/adma.201002180	journal	December 2010
Permanent magnets based on Sm(Co, Cu, Fe)z Perry, A.; Menth, A. IEEE Transactions on Magnetics, Vol. 11, Issue 5 https://doi.org/10.1109/TMAG.1975.1058818	journal	September 1975
Electronic structure calculations and strong correlations: A model study Runge, Erich; Zwicknagl, Gertrud Annalen der Physik, Vol. 508, Issue 4 https://doi.org/10.1002/andp.2065080404	journal	June 1996
Individual site magnetic anisotropy of the iron and cobalt ions in rare earth-iron and rare earth-cobalt intermetallic compounds Franse, J. J. M.; Thuy, N. P.; Hong, N. M. Journal of Magnetism and Magnetic Materials, Vol. 72, Issue 3 https://doi.org/10.1016/0304-8853(88)90235-1	journal	April 1988
The recent development of permanent magnet materials containing rare earth metals Strnat, K. IEEE Transactions on Magnetics, Vol. 6, Issue 2 https://doi.org/10.1109/TMAG.1970.1066743	journal	June 1970
Preparation of SmCo ₅ Permanent Magnets Buschow, K. H. J.; Naastepad, P. A.; Westendorp, F. F. Journal of Applied Physics, Vol. 40, Issue 10 https://doi.org/10.1063/1.1657138	journal	September 1969
Easy directions of magnetization in ternary R2(Co, Fe)17phases Ray, A.; Strnat, K. IEEE Transactions on Magnetics, Vol. 8, Issue 3 https://doi.org/10.1109/TMAG.1972.1067471	journal	September 1972
Magnetic properties of SmCo5 and YCo5 Larson, P.; Mazin, I. I. Journal of Applied Physics, Vol. 93, Issue 10 https://doi.org/10.1063/1.1556154	journal	May 2003
RETM ₅ and RE ₂ TM ₁ ₇ permanent magnets development Kumar, Kaplesh Journal of Applied Physics, Vol. 63, Issue 6 https://doi.org/10.1063/1.341084	journal	March 1988
Domain-wall curvature and coercivity in pinning type Sm–Co magnets Skomski, Ralph Journal of Applied Physics, Vol. 81, Issue 8 https://doi.org/10.1063/1.364620	journal	April 1997
Magnetism in rare earth—3d intermetallics Kirchmayr, H. R.; Poldy, C. A. Journal of Magnetism and Magnetic Materials, Vol. 8, Issue 1 https://doi.org/10.1016/0304-8853(78)90073-2	journal	March 1978
Magnetism and magnetic materials: by J.M.D. Coey, Cambridge, Cambridge University Press, 2018, 617 pp., £59.99 (paperback), ISBN 9781108717519. Scope: review. Level: advanced undergraduate, postgraduate, early career researcher, researcher. Howard, Eric Contemporary Physics, Vol. 60, Issue 4 https://doi.org/10.1080/00107514.2019.1709555	journal	October 2019
Charge distributions of crystal field states Walter, U. Zeitschrift f�r Physik B Condensed Matter, Vol. 63, Issue 1 https://doi.org/10.1007/bf01312588	journal	March 1986
Electron correlations in molecules and solids Pietro, W. J. Coordination Chemistry Reviews, Vol. 123, Issue 1-2 https://doi.org/10.1016/0010-8545(93)85062-9	journal	February 1993
Discovery of Amorphous Iron Hydrides via Novel Quiescent Reaction in Aqueous Solution Taguchi, Kohei; Shinozaki, Kazuteru; Okumura, Hideyuki Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-63124-2	journal	April 2020
Electron correlations in molecules and solids Charlesby, A. Radiation Physics and Chemistry, Vol. 48, Issue 4 https://doi.org/10.1016/0969-806x(96)82560-6	journal	October 1996
Magnetism and Magnetic Materials Sucksmith, W. Physics Bulletin, Vol. 10, Issue 10 https://doi.org/10.1088/0031-9112/10/10/012	journal	October 1959