2Flux growth and characterization of Ce-substituted Nd2Fe14B single crystals

Susner, Michael A.; Conner, Benjamin S.; Saparov, Bayrammurad I.; McGuire, Michael A.; Crumlin, Ethan J.; Veith, Gabriel M.; Cao, Huibo; Shanavas, Kavungal V.; Parker, David S.; Chakoumakos, Bryan C.; Sales, Brian C.

doi:10.1016/j.jmmm.2016.10.127

Title: 2Flux growth and characterization of Ce-substituted ${Nd}_{2} {Fe}_{14} B$ single crystals

Journal Article · 27 October 2016 · Journal of Magnetism and Magnetic Materials

DOI: https://doi.org/10.1016/j.jmmm.2016.10.127 · OSTI ID:1349597

Susner, Michael A. ^[1]; Conner, Benjamin S. ^[1]; Saparov, Bayrammurad I. ^[2]; McGuire, Michael A. ^[1]; Crumlin, Ethan J. ^[3]; Veith, Gabriel M. ^[1]; Cao, Huibo ^[4]; Shanavas, Kavungal V. ^[1]; Parker, David S. ^[1]; Chakoumakos, Bryan C. ^[4]; Sales, Brian C. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division; Duke Univ., Durham, NC (United States). Dept. of Mechanical Engineering and Materials Science and the Dept. of Chemistry
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division

Single crystals of (Nd_1-xCe_x)₂Fe₁₄B are grown out of Fe-(Nd,Ce) flux. Chemical and structural analysis of the crystals indicate that (Nd_1-xCe_x)₂Fe₁₄B forms a solid solution until at least x = 0.38 with a Vegard-like variation of the lattice constants with x. Refinements of single crystal neutron diffraction data indicate that Ce has a slight site preference (7:3) for the 4g rare earth site over the 4f site. Magnetization measurements at 300 K show only small decreases with increasing Ce content in saturation magnetization (M_s) and anisotropy field (H_A), and Curie temperature (T_C). First principles calculations are carried out to understand the effect of Ce substitution on the electronic and magnetic properties. For a multitude of applications, it is expected that the advantage of incorporating lower-cost and more abundant Ce will outweigh the small adverse effects on magnetic properties. In conclusion, Ce-substituted Nd₂Fe₁₄B is therefore a potential high-performance permanent magnet material with substantially reduced Nd content.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS); Ames Lab., Ames, IA (United States). Critical Materials Institute (CMI)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Energy Efficiency Office. Advanced Manufacturing Office; USDOE Office of Science (SC), Basic Energy Sciences (BES); Work for Others (WFO)

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231

OSTI ID:: 1349597

Alternate ID(s):: OSTI ID: 1414475

Journal Information:: Journal of Magnetism and Magnetic Materials, Vol. 434, Issue C; ISSN 0304-8853

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 29 works

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References (37)

Permanent magnet materials based on the rare earth-iron-boron tetragonal compounds Sagawa, M.; Fujimura, S.; Yamamoto, H. IEEE Transactions on Magnetics, Vol. 20, Issue 5 https://doi.org/10.1109/TMAG.1984.1063214	journal	September 1984
Pr‐Fe and Nd‐Fe‐based materials: A new class of high‐performance permanent magnets (invited) Croat, J. J.; Herbst, J. F.; Lee, R. W. Journal of Applied Physics, Vol. 55, Issue 6 https://doi.org/10.1063/1.333571	journal	March 1984
Cerium: An Unlikely Replacement of Dysprosium in High Performance Nd-Fe-B Permanent Magnets Pathak, Arjun K.; Khan, Mahmud; Gschneidner, Karl A. Advanced Materials, Vol. 27, Issue 16 https://doi.org/10.1002/adma.201404892	journal	March 2015
Relationships between crystal structure and magnetic properties in Nd 2 Fe 14 B Herbst, J. F.; Croat, J. J.; Pinkerton, F. E. Physical Review B, Vol. 29, Issue 7 https://doi.org/10.1103/PhysRevB.29.4176	journal	April 1984
The structure of a new magnetic phase related to the sigma phase: iron neodymium boride Nd2Fe14B Shoemaker, C. B.; Shoemaker, D. P.; Fruchart, R. Acta Crystallographica Section C Crystal Structure Communications, Vol. 40, Issue 10 https://doi.org/10.1107/S0108270184009094	journal	October 1984
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
Magnetic anisotropies and spin reorientations of R ₂ Fe ₁ ₄ B‐type compounds Abache, C.; Oesterreicher, J. Journal of Applied Physics, Vol. 60, Issue 10 https://doi.org/10.1063/1.337574	journal	November 1986
Site-preference and valency for rare-earth sites in (R-Ce) ₂ Fe ₁₄ B magnets Alam, Aftab; Khan, Mahmud; McCallum, R. W. Applied Physics Letters, Vol. 102, Issue 4 https://doi.org/10.1063/1.4789527	journal	January 2013
High-temperature solution growth of intermetallic single crystals and quasicrystals Canfield, Paul C.; Fisher, Ian R. Journal of Crystal Growth, Vol. 225, Issue 2-4 https://doi.org/10.1016/S0022-0248(01)00827-2	journal	May 2001
Magnetic domains of single-crystal Nd2Fe14B imaged by unmodified scanning electron microscopy Lewis, L. H.; Wang, J. -Y.; Canfield, P. Journal of Applied Physics, Vol. 83, Issue 11 https://doi.org/10.1063/1.367664	journal	June 1998
A short history of SHELX Sheldrick, George M. Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122 https://doi.org/10.1107/S0108767307043930	journal	December 2007
Four-circle single-crystal neutron diffractometer at the High Flux Isotope Reactor Chakoumakos, Bryan C.; Cao, Huibo; Ye, Feng Journal of Applied Crystallography, Vol. 44, Issue 3 https://doi.org/10.1107/S0021889811012301	journal	May 2011
Recent advances in magnetic structure determination by neutron powder diffraction Rodríguez-Carvajal, Juan Physica B: Condensed Matter, Vol. 192, Issue 1-2 https://doi.org/10.1016/0921-4526(93)90108-I	journal	October 1993
Using “Tender” X-ray Ambient Pressure X-Ray Photoelectron Spectroscopy as A Direct Probe of Solid-Liquid Interface Axnanda, Stephanus; Crumlin, Ethan J.; Mao, Baohua Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep09788	journal	May 2015
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
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
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
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
Magnetic properties of compounds R ₂ Fe ₁ ₄ B Abache, C.; Oesterreicher, H. Journal of Applied Physics, Vol. 57, Issue 8 https://doi.org/10.1063/1.334635	journal	April 1985
Preferential site occupation and magnetic structure of Nd ₂ (Co _x Fe ₁ ₋ _x ) ₁ ₄ B systems Herbst, J. F.; Yelon, W. B. Journal of Applied Physics, Vol. 60, Issue 12 https://doi.org/10.1063/1.337511	journal	December 1986
Experimental and theoretical studies on site preference of Ti in Nd2(Fe,Ti)14B Dong, Guangle; Sui, Yanli; Qian, Ping Journal of Magnetism and Magnetic Materials, Vol. 379 https://doi.org/10.1016/j.jmmm.2014.12.029	journal	April 2015
Magnetism of ordered and disordered alloys of R2Fe14B (R=Nd, Er) type Teplykh, A. E.; Chukalkin, Yu. G.; Lee, S. Journal of Alloys and Compounds, Vol. 581 https://doi.org/10.1016/j.jallcom.2013.07.103	journal	December 2013
Accounting for unknown systematic errors in Rietveld refinements: a Bayesian statistics approach Gagin, Anton; Levin, Igor Journal of Applied Crystallography, Vol. 48, Issue 4 https://doi.org/10.1107/S1600576715011322	journal	July 2015
Crystal and magnetic structure of Pr ₂ Fe ₁ ₄ B and Dy ₂ Fe ₁ ₄ B Herbst, J. F.; Yelon, W. B. Journal of Applied Physics, Vol. 57, Issue 6 https://doi.org/10.1063/1.334342	journal	March 1985
Magnetism in Fe-based intermetallics: relationships between local environments and local magnetic moments Isnard, Olivier; Fruchart, Daniel Journal of Alloys and Compounds, Vol. 205, Issue 1-2 https://doi.org/10.1016/0925-8388(94)90757-9	journal	March 1994
Complex alloy structures regarded as sphere packings. II. Analysis and classification of representative structures Frank, F. C.; Kasper, J. S. Acta Crystallographica, Vol. 12, Issue 7 https://doi.org/10.1107/S0365110X59001499	journal	July 1959
Complex alloy structures regarded as sphere packings. I. Definitions and basic principles Frank, F. C.; Kasper, J. S. Acta Crystallographica, Vol. 11, Issue 3 https://doi.org/10.1107/S0365110X58000487	journal	March 1958
Neutron‐diffraction study of the insertion scheme of hydrogen in Nd ₂ Fe ₁₄ B Isnard, O.; Yelon, W. B.; Miraglia, S. Journal of Applied Physics, Vol. 78, Issue 3 https://doi.org/10.1063/1.360720	journal	August 1995
Magnetic properties of bulk, and rapidly solidified nanostructured (Nd1-xCex)2Fe14-yCoyB ribbons Pathak, Arjun K.; Khan, M.; Gschneidner, K. A. Acta Materialia, Vol. 103 https://doi.org/10.1016/j.actamat.2015.09.049	journal	January 2016
Magnetic properties of rare‐earth‐iron‐boron permanent magnet materials Sagawa, M.; Fujimura, S.; Yamamoto, H. Journal of Applied Physics, Vol. 57, Issue 8 https://doi.org/10.1063/1.334629	journal	April 1985
Crystal-field analysis of the magnetization process in a series of Nd 2 Fe 14 B-type compounds Yamada, Motohiko; Kato, Hiroaki; Yamamoto, Hisao Physical Review B, Vol. 38, Issue 1 https://doi.org/10.1103/PhysRevB.38.620	journal	July 1988
Comparative studies of electronic and magnetic structures in Y 2 Fe 14 B, Nd 2 Fe 14 B, Y 2 Co 14 B, and Nd 2 Co 14 B Gu, Zong-Quan; Ching, W. Y. Physical Review B, Vol. 36, Issue 16 https://doi.org/10.1103/PhysRevB.36.8530	journal	December 1987
Electronic structure and magnetism of R 2 Fe 14 B ( R =Y,Nd) compounds Jaswal, S. S. Physical Review B, Vol. 41, Issue 14 https://doi.org/10.1103/PhysRevB.41.9697	journal	May 1990
Electronic and magnetic structures of the rare-earth permanent magnet Nd 2 Fe 14 B Min, B. I.; Kang, J. -S.; Hong, J. H. Physical Review B, Vol. 48, Issue 9 https://doi.org/10.1103/PhysRevB.48.6217	journal	September 1993
The partitioning of La and Y in Nd–Fe–B magnets: A first-principles study Liu, X. B.; Altounian, Z.; Huang, Meidong Journal of Alloys and Compounds, Vol. 549 https://doi.org/10.1016/j.jallcom.2012.10.056	journal	February 2013
The Fe substitution in (M=Si, Ge and Sn): A first-principles study Liu, X. B.; Ping Liu, J.; Zhang, Qiming Computational Materials Science, Vol. 85 https://doi.org/10.1016/j.commatsci.2013.12.050	journal	April 2014
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

Cited By (2)

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
Magnetic hardening of Nd-Ce-Fe-B films with high Ce concentration Ren, Hanyang; Abbas, Nadeem; Liu, Yang Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-29907-4	journal	August 2018

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Title: 2Flux growth and characterization of Ce-substituted Nd 2 Fe 14 B single crystals

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Cited By (2)

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Title: 2Flux growth and characterization of Ce-substituted ${Nd}_{2} {Fe}_{14} B$ single crystals