First-principles prediction of magnetic properties in Fe(Co,Ni)(C,N)0.5alloys

• Main Authors: Kota, Y. (Author), Sakuma, A. (Author)
• Format: Article
• Language: English
• Published: American Institute of Physics Inc. 2022
• Subjects: Basic concepts; Binary alloys; Calculations; Cobalt alloys; First principle calculations; First principles; Iron alloys; Light elements; Magnetic anisotropy; Magnetic anisotropy constant; Magnetic materials; Magnetism; Ni additions; Nonmagnetics; Ordered alloys; Rare earths; Rare-earth-free; Uniaxial magnetic anisotropy
• Online Access: View Fulltext in Publisher
• ISBN: 00036951 (ISSN)
• DOI: 10.1063/5.0082398

To explore a candidate for rare-earth-free magnets, the effects of the light elements (C,N) addition on the magnetic properties in FeCo and FeNi ordered alloys were examined using first-principles calculations. Among Fe(Co,Ni)(C,N)0.5 alloys, we found that FeNiC0.5 is the most promising, because its uniaxial magnetic anisotropy constant K u is expected to be 3.0 MJ/m3 (five times K u of L10-type FeNi) and the increase in the Curie temperature T C by the addition of C was observed. The mechanism for the enhancement of K u and T C can be understood by the basic concepts of the physics of magnetism. Despite being nonmagnetic themselves, light elements have the potential to improve the fundamental properties of magnetic materials. © 2022 Author(s).