[S7] Element strategy for high performance permanent magnets 9 -Fundamental and basic research toward next-generation novel materials-

1:55 PM - 2:20 PM JST(4:55 AM - 5:20 AM UTC)

[S7.18] First-principles thermodynamics of SmFe₁₂-type compounds, as well as Sm₂Fe₁₇-type as a comparison

*Ying CHEN¹, Saengdeejing Arkapol¹ (1. Tohoku University)

Keywords:

First-principles,Thermodynamics,Stability,SmFe12-type,Sm2Fe17-type

高性能磁石と期待されているSmFe₁₂系の熱力学的不安定性問題に対して、3d元素ドピング効果を第一原理熱力学手法で調べ、Sm₂Fe₁₇系化合物と比較しながら、安定化のメカニズムと最も効果的な安定化元素を探索した。