First principles calculation of crystal field parameter near surfaces of Nd2 Fe14 B

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Abstract

We study the electronic structures of a (001) surface of crystalline Nd2 Fe14 B by using a slab model, and estimate the crystal field parameters A20 〈 r2 〉 at Nd sites based on first principles calculations. We find that the A20 〈 r2 〉 for some Nd ions are negative. The present results imply that Nd ions located around the (001) surfaces of crystalline Nd2 Fe14 B would be nucleation sites of reversed magnetic domains.

Original languageEnglish
Article number07A740
JournalJournal of Applied Physics
Volume105
Issue number7
DOIs
Publication statusPublished - 2009 Apr 27

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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