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Open AccessArticle

High-Throughput Screening of Rare-Earth-Lean Intermetallic 1-13-X Compounds for Good Hard-Magnetic Properties

1
Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstr. 11, 79108 Freiburg, Germany
2
Fraunhofer Project Group for Materials Recycling and Resource Strategy IWKS, Rodenbacher Chaussee 4, 63457 Hanau, Germany
3
Technische Universität Darmstadt, Institute for Materials Science, Alarich-Weiss-Str. 16, 64287 Darmstadt, Germany
4
Freiburg Materials Research Center, University of Freiburg, Stefan-Meier-Str. 21, 79104 Freiburg, Germany
*
Author to whom correspondence should be addressed.
Metals 2019, 9(10), 1096; https://doi.org/10.3390/met9101096
Received: 9 August 2019 / Revised: 1 October 2019 / Accepted: 2 October 2019 / Published: 11 October 2019
(This article belongs to the Special Issue Ab Initio Theories of Magnetism and Many-Electron Effects in Metals)
By computational high-throughput screening, the spontaneous magnetization M s , uniaxial magnetocrystalline anisotropy constant K 1 , anisotropy field H a , and maximum energy product ( B H ) max are estimated for ferromagnetic intermetallic phases with a tetragonal 1-13-X structure related to the LaCo 9 Si 4 structure type. For SmFe 13 N, a ( B H ) max as high as that of Nd 2 Fe 14 B and a comparable K 1 are predicted. Further promising candidates of composition SmFe 12 AN with A = Co, Ni, Cu, Zn, Ga, Ti, V, Al, Si, or P are identified which potentially reach (BH) max values higher than 400 kJ/m 3 combined with significant K 1 values, while containing almost 50% less rare-earth atoms than Nd 2 Fe 14 B. View Full-Text
Keywords: uniaxial magnetocrystalline anisotropy; ferromagnetic intermetallic phases; computational high-throughput screening uniaxial magnetocrystalline anisotropy; ferromagnetic intermetallic phases; computational high-throughput screening
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Krugel, G.; Körner, W.; Urban, D.F.; Gutfleisch, O.; Elsässer, C. High-Throughput Screening of Rare-Earth-Lean Intermetallic 1-13-X Compounds for Good Hard-Magnetic Properties. Metals 2019, 9, 1096.

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