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タイトル
  • ja 鉄単結晶におけるひずみ誘起磁気相転移の電子的制御に関する第一原理解析
  • en First-principles study of strain-induced magnetic phase transition in iron with carrier doping
作成者
アクセス権 open access
権利情報
主題
  • Other en Magnetism
  • Other en First-principles calculation
  • Other en Magnetic phase transition
  • Other en Structural phase transition
  • Other en Spin spiral
  • Other en Strain engineering
  • Other en Carrier tuning
内容注記
  • Abstract en Magnetic materials exhibit various magnetic orders and are used in many magnetic and mechanical devices. In order to control and design magnetic ordering, the stability of the magnetic phase with mechanical strain has been reported in previous studies. In this study, based on the first-principles calculation, we investigate the stain dependence of the magnetic phase stability in iron with carrier doping. We find that the excess electron doping makes keeping the ferromagnetic (FM) phase for compressive strain loading in the (001) plane. On the other hand, hole doping leads to a multi-step strain-induced magnetic phase transition, and the spin spiral (SS) phase appears under the in-plane tensile strain. The 3d-orbital hybridization of up- and down-spin makes the hybridization gap, which is one origin of stabilized SS phase. FM phase under the in-plane strain and hole doping will be unstable due to the increasing 3d-orbital bands at Fermi energy; that is, SS phase will be the most stable state by the hybridization gap. The present study suggests that the excess electron/hole carrier doping and mechanical loading help to design a non-trivial magnetic phase in magnetic materials.
出版者 ja 日本機械学会 en Japan Society of Mechanical Engineers
日付
    Issued2023
言語
  • jpn
資源タイプ journal article
出版タイプ VoR
資源識別子 HDL http://hdl.handle.net/2433/285304
関連
  • isIdenticalTo DOI https://doi.org/10.1299/transjsme.23-00119
助成情報
  • 助成機関名 ja 日本学術振興会
  • 研究課題番号 JP20H05653 https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20H05653/ JGN
  • 研究課題名 ja Anomalous電子によるリライタブル材料強度のナノ力学
  • 助成機関名 ja 日本学術振興会
  • 研究課題番号 JP22K14587 https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22K14587/ JGN
  • 研究課題名 ja トポロジカル磁性体における高効率熱電変換物質デザイン
  • 助成機関名 ja 日本学術振興会
  • 研究課題番号 JP23H00159 https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23H00159/ JGN
  • 研究課題名 ja トポロジカル磁性強誘電体の材料力学的創発と量子機械工学の開拓
収録誌情報
    • EISSN 2187-9761
      • ja 日本機械学会論文集 en Transactions of the JSME (in Japanese)
      • 巻89 号924
ファイル
コンテンツ更新日時 2026-02-18