ホーム > 研究活動 > 2020年 > Influence of local lattice structure on magnetic properties in Y2Fe17

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Influence of local lattice structure on magnetic properties in Y2Fe17

Phys. Rev. Materials 4, 114404

2020年11月4日(水)

Jun-ichiro Inoue, Takuya Yoshioka, Hiroki Tsuchiura

Abstract

A theoretical study is performed on the relation between magnetic properties and lattice structures, that is, lattice constants and local atom displacement, for rhombhedral (rh-) Y2Fe17 compounds. We use real-space full-orbital tight-binding formalism to calculate electronic states. Magnetic anisotropy (MA) is calculated with high numerical accuracy by adopting a second-order perturbation for spin-orbit interaction. It is shown that the local magnetic moments of Fe atoms on 9d and 18h sites increase with increasing lattice volume. The result is attributed to the high atomic area density of these sites on the hexagonal planes. Those of Fe atoms on the other sites are found to be nearly independent of the volume. We calculate local MA energy of Fe atoms on each nonequivalent site and find that the magnitude of the local MA is strongly affected by the local atom displacement. As a result, the MA of Y2Fe17 is shown to be sensitive to volume.




研究活動

文部科学省

文部科学省
元素戦略プロジェクト(活動紹介)
NIMS磁石パートナーシップ

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