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Magnetism of iron-based neodymium compounds

EU-JAPAN Workshop on Computational Materials Design and Realization for Spintronics, Moltronics, Quantronics, Superconductivity and Topotronics

2016年9月28日(水)

Takashi Miyake (AIST and ESICMM)

概要

Recently, NdFe12N has been synthesized as a film. It turned out to have larger saturation magnetization and anisotropy field than Nd2Fe14B, which has attracted renewed interest in the development of new hard magnets. In order to understand the magnetism of NdFe12N and related compounds, we have performed density functional calculations of NdFe11TiX for X=B,C,N,O,F. We found that introduction of X increases the magnetization, and the value is substantially larger for X=N,O,F than for X=B,C. The X dependence is ascribed to the change in the occupation number of the hybridized state between Fe-d and X-p. Magnetocrystalline anisotropy becomes the strongest for X=N. These results suggest that X=N is the best dopant at low temperature. As the temperature is raised, the magnetocrystalline anisotropy becomes weaker. Analysis using a classical spin-model clarifies that the temperature dependence is characterized by the magnetic exchange coupling between Fe and Nd. We will show that the exchange coupling is significantly affected by the introduction of X.

その他特記事項

CDMSI, MI^2I




研究活動

元素戦略拠点

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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