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2 SmCo7超晶胞结构及与文献[17,23,24]报道的SmCo7近似结构模型示意图

Fig.2 Schematics of crystal structure models of SmCo7 supercell in present work (a), and SmCo8.5[17] (b), SmCo7.3[23] (c), and SmCo6.75[24] (d) supercells in Refs.[17,23,24]