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First-principles study of ThMn12-type iron-based rare-earth intermetallics

TMS 2017 Annual Meeting & Exhibition

2017年3月1日(水)

Takashi Miyake (AIST and NIMS)

概要

Synthesis of NdFe12N film by Hirayama et al. [1] has attracted renewed interest in the ThMn12-type compounds. Although NdFe12N has large saturation magnetization and reasonably strong magnetocrystalline anisotropy [2], its thermodynamic instability prevents industrial applications. We have performed density functional calculations of NdFe11M for M=Ti, V, Cr, Mn, Co, Ni, Cu, Zn. We found that Co can contribute to phase stability, and NdFe11CoN has large saturation magnetization and crystal-field parameter A20 comparable to NdFe12N. We also found that the magnetic exchange coupling between Nd and Fe has a big impact on magnetic anisotropy at high temperatures, and the strength of the coupling varies significantly by interstitial nitrogenation.

[1] Y. Hirayama et al., Scripta Materialia 95, 70 (2015).
[2] T. Miyake et al., J. Phys. Soc. Jpn. 83, 043702 (2014).

その他特記事項

 CDMSI, MI^2I


研究活動

元素戦略拠点

触媒・電池元素戦略拠点
触媒・電池元素戦略研究拠点 (京都大学)
東工大元素戦略拠点
東工大元素戦略拠点 (東京工業大学)
構造材料元素戦略研究拠点
構造材料元素戦略研究拠点 (京都大学)
高効率モーター用磁性材料技術研究組合
高効率モーター用 磁性材料技術研究組合