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.
ASJC Scopus subject areas
- Physics and Astronomy(all)