中国物理B ›› 2016, Vol. 25 ›› Issue (6): 63101-063101.doi: 10.1088/1674-1056/25/6/063101
• ATOMIC AND MOLECULAR PHYSICS • 上一篇 下一篇
Correlation between valence electronic structure and magnetic properties in RCo5 (R= rare earth) intermetallic compound
Zhi-Qin Xue(薛智琴), Yong-Quan Guo(郭永权)
- North China Electric Power University, School of Energy Power and Mechanical Engineering, Beijing 102206, China
Correlation between valence electronic structure and magnetic properties in RCo5 (R= rare earth) intermetallic compound
Zhi-Qin Xue(薛智琴), Yong-Quan Guo(郭永权)
- North China Electric Power University, School of Energy Power and Mechanical Engineering, Beijing 102206, China
摘要：
The magnetisms of RCo5 (R=rare earth) intermetallics are systematically studied with the empirical electron theory of solids and molecules (EET). The theoretical moments and Curie temperatures agree well with experimental ones. The calculated results show strong correlations between the valence electronic structure and the magnetic properties in RCo5 intermetallic compounds. The moments of RCo5 intermetallics originate mainly from the 3d electrons of Co atoms and 4f electrons of rare earth, and the s electrons also affect the magnetic moments by the hybridization of d and s electrons. It is found that moment of Co atom at 2c site is higher than that at 3g site due to the fact that the bonding effect between R and Co is associated with an electron transformation from 3d electrons into covalence electrons. In the heavy rare-earth-based RCo5 intermetallics, the contribution to magnetic moment originates from the 3d and 4f electrons. The covalence electrons and lattice electrons also affect the Curie temperature, which is proportional to the average moment along the various bonds.
中图分类号: (Theory of electronic structure, electronic transitions, and chemical binding)
- 31.10.+z