Hyperfine fields of Fe in Nd$_2$Fe$_{14}$B and Sm$_2$Fe$_{17}$N$_3$

ORAL

Abstract

High saturation magnetization of rare-earth magnets originates from Fe and the strong magnetic anisotropy stems from f-states of rare-earth elements such as Nd and Sm. Therefore the hyperfine fields of both Fe and rare-earth provide us with important pieces of information: Fe NMR enable us to detect site dependence of the local magnetic moment and magnetic anisotropy (Fe sites also contribute to the magnetic anisotropy) while rare-earth NQR directly give the information of electric field gradients (EFG) that are related to the shape of the f-electron cloud as well as the EFG produced by ligands. In this study we focus on the hyperfine fields of materials used as permanent magnets, Nd$_2$Fe$_{14}$B and Sm$_2$Fe$_{17}$N$_3$ from theoretical points of view. The detailed electronic structure together with the hyperfine interactions are discussed on the basis of the first-principles calculation. In particular, the relations between the observed hyperfine fields and the magnetic properties are studies in detail. The effects of doping of those materials by other elements such as Dy and the effects of N adding in Sm$_2$Fe$_{17}$N$_3$ will be discussed.

Authors

  • Hisazumi Akai

    Univ of Tokyo

  • Masako Ogura

    Osaka Univ