Mn和In添加对SmCo7结构稳定性及磁矩影响的第一性原理计算

Mn和In添加对SmCo₇结构稳定性及磁矩影响的第一性原理计算

毛斐, 吕皓, 唐法威, 郭凯, 刘东, 宋晓艳

First-Principle Calculation on the Effect of Mn and In on the Structural Stability and Magnetic Moment of SmCo₇ Alloys

MAO Fei, LU Hao, TANG Fawei, GUO Kai, LIU Dong, SONG Xiaoyan

图10 掺杂Mn和In前后的SmCo₅、SmCo₇ 和Sm₂Co₁₇超胞总磁矩
(a) SmCo₅ and SmCo₇supercells with or without Mn doping
(b) SmCo₅, SmCo₇, and Sm₂Co₁₇ supercells with or without In doping at different sites

Fig.10 Total magnetic moments of SmCo₅, SmCo₇, and Sm₂Co₁₇ systems doped Mn and In at different sites and undoped systems