中国物理B ›› 2009, Vol. 18 ›› Issue (10): 4490-4496.doi: 10.1088/1674-1056/18/10/065
考红1, 王培吉2, 周忠祥2, 张昌文3, 于峰3
Wang Pei-Ji(王培吉)a)b)†, Kao Hong(考红)c), Zhang Chang-Wen(张昌文)b), Yu Feng(于峰)b), and Zhou Zhong-Xiang(周忠祥)a)
摘要: The electronic structures and magnetic properties of SmCo7-xMx (M=Ti, Si, Zr, Hf, Cu, B, Ag, Ga, Mn) compounds are investigated by using a spin-polarized MS-X.α method. The results show that the long-range ferromagnetic order is determined by a stronger 3d--5d interaction, rather than the traditional RKKY interaction, and the effects of doping element M on 3d--5d coupling are negligible in Sm--Co-based compounds. The nonmagnetic dopant Si atoms have a larger effect on the moments of 2e site although they preferably occupy the Co 3g sites, which results in the stronger uniaxial anisotropy of this compound. Analysis of the formation energies indicates that 5d-element doped compounds are more stable than other dopants, and furthermore, they have a higher Curie temperature above room temperature, which will be in favor of their potential application as high-temperature permanent magnets.
中图分类号: (Intermetallic compounds)