[S1] Element strategy for high performance permanent magnets 8 -Fundamental and basic research toward next-generation novel materials-

[S1.17] Finite-temperature stability of R_1-xFe_x (R = Y, Ce, Nd, Sm, and Dy) alloys from first-principles calculation

*Guangzong Xing¹, Takahiro Ishikawa¹, Yoshio Miura¹, Takashi Miyake², Terumasa Tadano¹ (1. National Institute for Materials Science (NIMS)、2. National Institute of Advanced Industrial Science and Technology (AIST))

Keywords:Permanent magnets、Lattice dynamics、Thermodynamic stability、first-principles calculation

we investigated the effects of lattice dynamics on the thermodynamic stability of binary R_1-xFe_x (R = Y, Ce, Nd, Sm, and Dy) compounds at finite temperature by using first-principles calculation.