First-principles calculations of crystal field parameters of Nd ions near surfaces and interfaces in Nd-Fe-B magnets

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10 Citations (Scopus)

Abstract

We study the local magnetic anisotropy due to Nd ions located around surfaces of Nd2Fe14B within the crystal field theory based on first-principles calculations. The Nd ions on the (001) surface exhibit A20 < 0, that is, the in-plane anisotropy, as reported previously, but those on the (100) surface exhibit A20 > 0, which is consistent with the bulk c-axis uniaxial anisotropy. The physical origin of these conflicting local anisotropies can be understood from the 6p and 5d valence charge distributions realized in the Nd2Fe14B structure.

Original languageEnglish
Article number6971475
JournalIEEE Transactions on Magnetics
Volume50
Issue number11
DOIs
Publication statusPublished - 2014 Nov 1

Keywords

  • Magnets
  • and compounds
  • elements
  • materials
  • permanent magnets

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Electrical and Electronic Engineering

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