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Title: Magnetocrystalline anisotropy of the Fe-sublattice in Y{sub 2}Fe{sub 14}B systems

To reveal the role of Fe sublattice in the coercivity of R{sub 2}Fe{sub 14}B, we investigated the origin of perpendicular magnetocrystalline anisotropy (MCA) of Y{sub 2}Fe{sub 14}B using first-principles density-functional calculations. We found that the perpendicular MCA of Y{sub 2}Fe{sub 14}B arises predominantly from Fe sites with higher symmetry (16k{sub 1,2} and 8j{sub 1,2}). On the other hand, the Fe(4c) sites show a significant contribution to the in-plane MCA. This can be attributed to the localized character of Fe(4c)-d orbitals in R{sub 2}Fe{sub 14}B. Furthermore, the MCA energy of Y{sub 2}Fe{sub 14}B increases as the number of valence electrons increases within the rigid band model, indicating that the partial substitution of Fe by Co can enhance the MCA energy of Y{sub 2}Fe{sub 14}B.
Authors:
 [1] ; ;  [2]
  1. Mathematical and Physical Science, Kyoto Institute of Technology, Matsugasaki, Kyoto 606-8585 (Japan)
  2. Department of Applied Physics, Tohoku University, Aoba 6-6-05, Sendai 980-8579 (Japan)
Publication Date:
OSTI Identifier:
22273726
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 17; Conference: 55. annual conference on magnetism and magnetic materials, Atlanta, GA (United States), 14-18 Nov 2010; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANISOTROPY; COERCIVE FORCE; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL METHOD; ELECTRONS; IRON BORIDES; MAGNETIC MATERIALS; SYMMETRY; VALENCE; YTTRIUM COMPOUNDS