中国物理B ›› 2009, Vol. 18 ›› Issue (10): 4490-4496.doi: 10.1088/1674-1056/18/10/065

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Electronic structures and magnetic properties in SmCo7-xMx

考红1, 王培吉2, 周忠祥2, 张昌文3, 于峰3   

  1. (1)Library, North China Institute of Science and Technology, Beijing 101601, China; (2)School of Science, Harbin Institute of Technology, Harbin 150001, China;School of Science, University of Jinan, Jinan 250022, China; (3)School of Science, University of Jinan, Jinan 250022, China
  • 收稿日期:2008-10-14 修回日期:2009-04-19 出版日期:2009-10-20 发布日期:2009-10-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos 10847134 and 60471042) and the Natural Science Foundation of Shandong Province, China (Grant No Y2005A05).

Electronic structures and magnetic properties in SmCo7-xMx

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)   

  1. a School of Science, Harbin Institute of Technology, Harbin 150001, China; b School of Science, University of Jinan, Jinan 250022, China; c Library, North China Institute of Science and Technology, Beijing 101601, China
  • Received:2008-10-14 Revised:2009-04-19 Online:2009-10-20 Published:2009-10-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos 10847134 and 60471042) and the Natural Science Foundation of Shandong Province, China (Grant No Y2005A05).

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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.

Abstract: 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.$\alpha$  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.

Key words: electronic structure, atomic magnetic moment, exchange coupling, Curie temperature

中图分类号:  (Intermetallic compounds)

  • 71.20.Lp
72.25.-b (Spin polarized transport) 75.30.Cr (Saturation moments and magnetic susceptibilities) 75.30.Et (Exchange and superexchange interactions) 75.30.Kz (Magnetic phase boundaries (including classical and quantum magnetic transitions, metamagnetism, etc.)) 75.50.Ww (Permanent magnets)