First-principles study on the magnetic properties of ordered Nd$_{6}$(Fe,Ga)$_{14}$ alloys

Kazushige Hyodo; Yuta Toga; Akimasa Sakuma

doi:10.1063/1.5007723

First-principles study on the magnetic properties of ordered Nd$_{6}$(Fe,Ga)$_{14}$ alloys

Materials Science 2017-12-29 v3

Authors: Kazushige Hyodo , Yuta Toga , Akimasa Sakuma

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Abstract

We studied the stable magnetic structure of ordered Nd $_{6}$ Fe $_{14-x}$ Ga $_x$ ( $x = 0, 1)$ alloys, which appears in the grain-boundary (GB) phase of Nd-Fe-B permanent magnets, using first-principles techniques. Slight Ga doping ( $x = 1$ ) was shown to contribute to the stabilization of an anti-ferromagnetic (AF) state, whereas the non-doped case ( $x = 0$ ) was revealed to favor ferromagnetic state rather than AF state with a slight energy difference.

Keywords

first-principles study magnetic properties Nd-Fe-B magnets grain-boundary phase ordered alloys Ga doping anti-ferromagnetic state

Cite

@article{arxiv.1612.02633,
  title  = {First-principles study on the magnetic properties of ordered Nd$_{6}$(Fe,Ga)$_{14}$ alloys},
  author = {Kazushige Hyodo and Yuta Toga and Akimasa Sakuma},
  journal= {arXiv preprint arXiv:1612.02633},
  year   = {2017}
}

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