[G] 相安定性・相平衡・拡散

16:25 〜 16:40

[176] Thermodynamic stability of X, Y doped Sm(Fe,X)₁₂Y compounds

*Arkapol Saengdeejing¹, Ying Chen¹ (1. Tohoku University)

キーワード：

First-principles、SmFe₁₂、Thermodynamic stability、Magnetic materials

Thermodynamic stability study of multi-doping elements in SmFe₁₂ compounds. SQS is used for represent the random mixing for first-principles ground state calculations.