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High-throughput screening of rare-earth-lean intermetallic 1-13-X compounds for good hard-magnetic properties

: Krugel, G.; Körner, W.; Urban, D.F.; Gutfleisch, O.; Elsässer, C.

Fulltext ()

Metals 9 (2019), No.10, Art. 1096, 13 pp.
ISSN: 2075-4701
Hessisches Ministerium für Wissenschaft und Kunst HMWK
LOEWE: Landesoffensive zur Entwicklung wissenschaftlich-ökonomischer Excellenz; RESPONSE
Ressourcenschonende Permanentmagnete durch optimierte Nutzung seltener Erden
Journal Article, Electronic Publication
Fraunhofer IWM ()
uniaxial magnetocrystalline anisotropy; ferromagnetic intermetallic phases; computational high-throughput screening

By computational high-throughput screening, the spontaneous magnetization Ms, uniaxial magnetocrystalline anisotropy constant K1, anisotropy field Ha, and maximum energy product (BH)max are estimated for ferromagnetic intermetallic phases with a tetragonal 1-13-X structure related to the LaCo9Si4 structure type. For SmFe13N, a (BH)max as high as that of Nd2Fe14B and a comparable K1 are predicted. Further promising candidates of composition SmFe12AN 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/m3 combined with significant K1 values, while containing almost 50% less rare-earth atoms than Nd2Fe14B.