Magnetic hardness of Fe3C-based alloys: A first-principles study

被引：0
|
作者：
Snarski-Adamski, Justyn [1 ]
Rychly-Gruszecka, Justyna [1 ]
Werwinski, Miroslaw [1 ]
机构：
[1] Polish Acad Sci, Inst Mol Phys, Smoluchowskiego 17, PL-60179 Poznan, Poland
来源：
2024 IEEE INTERNATIONAL MAGNETIC CONFERENCE-SHORT PAPERS, INTERMAG SHORT PAPERS | 2024年
关键词：
Hard magnetic materials; magnetocrystalline anisotropy energy; permanent magnets; density functional theory;
D O I：
10.1109/INTERMAGSHORTPAPERS61879.2024.10576869
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
The demand for hard magnetic materials is exponentially growing, while at the same time prices of rare earth elements can not be considered as stable. Therefore, rare-earth free permanent magnets are intensively sought after. In this work we have performed a systematic study of magnetic properties of Fe3C with hexagonal and orthorhombic structures using full-potential local-orbital electronic structure code FPLO. Employing virtual crystal approximation (VCA), we also performed calculations for the composition range (Fe1-xCox)(3)C. In addition, also using VCA, we determined the dependence of magnetocrystalline anisotropy on the number of electrons in the C site, considering a range of alloys from B, through C, to N (atomic numbers 5, 6 and 7). The results obtained suggest new candidates for hard magnetic materials.
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