中国物理B ›› 2009, Vol. 18 ›› Issue (5): 1991-1995.doi: 10.1088/1674-1056/18/5/043

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The stabilization effect of the substituted atoms and themagnetism for intermetallic compounds YFe12-xCrx

陈波1, 麻焕锋2, 黄整2, 强伟荣2, 潘敏2   

  1. (1)Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900, China; (2)School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, China
  • 收稿日期:2008-01-01 修回日期:2008-11-04 出版日期:2009-05-20 发布日期:2009-05-20
  • 基金资助:
    Project supported by the Science and Technology Foundation of China Academy of Engineering Physics (Grant No 20050212).

The stabilization effect of substituted atoms and magnetism for intermetallic compounds YFe12-xCrx

Ma Huan-Feng(麻焕锋)a), Huang Zheng(黄整)a)† , Chen Bo(陈波)b), Qiang Wei-Rong(强伟荣)a), and Pan Min(潘敏)a)   

  1. a School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, China; b Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900, China
  • Received:2008-01-01 Revised:2008-11-04 Online:2009-05-20 Published:2009-05-20
  • Supported by:
    Project supported by the Science and Technology Foundation of China Academy of Engineering Physics (Grant No 20050212).

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摘要： Based on density functional theory, using the scheme of the linearized augmented plane wave and the improved local orbital (APW+lo), this paper analyses and calculates the lattice parameters, formation energy and magnetism of the rare-earth permanent magnetic materials YFe12-xCrx (x=0～ 5). The stabilization effect and the possible positions of the substituted atom Cr are analysed. Magnetic moments for the system and the atoms are obtained.

关键词: YFe12-xCrx, density functional theory, formation energy, magnetic moment

Abstract: Based on density functional theory, using the scheme of the linearized augmented plane wave and the improved local orbital (APW+lo), this paper analyses and calculates the lattice parameters, formation energy and magnetism of the rare-earth permanent magnetic materials YFe12-xCrx (x=0～ 5). The stabilization effect and the possible positions of the substituted atom Cr are analysed. Magnetic moments for the system and the atoms are obtained.

Key words: YFe12-xCrx, density functional theory, formation energy, magnetic moment

中图分类号:  (Alloys )

  • 61.66.Dk
75.50.Ww (Permanent magnets) 75.30.Cr (Saturation moments and magnetic susceptibilities)