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First-principles molecular dynamics theory of magnetic structures and phase transitions in the frustrated antiferromagnetic alloys

Research Project

Project/Area Number 19540374
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Condensed matter physics II
Research InstitutionHokkaido Institute of Technology

Principal Investigator

UCHIDA Takashi  Hokkaido Institute of Technology, 創生工学部, 教授 (90265059)

Co-Investigator(Kenkyū-buntansha) KAKEHASHI Yoshirou  琉球大学, 理学部, 教授 (10191975)
Project Period (FY) 2007 – 2009
Project Status Completed (Fiscal Year 2009)
Budget Amount *help
¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Fiscal Year 2009: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2008: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2007: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Keywords遍歴電子磁性 / 等温分子動力学法 / 第一原理TB-LMTO法 / 磁気構造理論 / フラストレート型磁性金属 / Mn_3Pt / 平坦バンド / 有限温度金属磁性理論 / Mn3Pt / 汎関数積分法
Research Abstract

We have formulated the molecular dynamics theory which determines the magnetic structures of metals and alloys in a first principle manner by extending the previous theory. Application of this theory to Mn_3Pt alloy at 25 K shows a noncollinear magnetic structure which is almost identical to that found in experiments. Electronic-structure calculations on Mn_3Pt reveals the formation of a flat band around the X point near the Fermi surface, and it is found that the nonmagnetic density of states of the d electron has a sub peak the location of which coincides with that of the Fermi energy.

Report

(4 results)
  • 2009 Annual Research Report   Final Research Report ( PDF )
  • 2008 Annual Research Report
  • 2007 Annual Research Report
  • Research Products

    (18 results)

All 2010 2009 2008 2007

All Journal Article (5 results) (of which Peer Reviewed: 4 results) Presentation (13 results)

  • [Journal Article]2008

    • Author(s)
      内田尚志, 梯祥郎
    • Journal Title

      第8回琉球物性研究会講演概要集

      Pages: 62-63

    • Related Report
      2009 Final Research Report
  • [Journal Article] Molecular dynamics approach to magnetic alloys showing multi-step magnetic transitions: Fe20Cr80-xMnx alloys2007

    • Author(s)
      T. Uchida, Y. Kakehashi, N. Kimura
    • Journal Title

      J. Magn. Magn. Mater 310

      Pages: 1809-1811

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] ddendum to "Phenomenological Theory of Multiple Spin Density Waves in fcc Transition Metals2007

    • Author(s)
      T. Uchida, Y. Kakehashi
    • Journal Title

      J. Phys. Soc. Jpn. 76

      Pages: 1-1

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Addendum to"Phenomenological Theory of Multiple Spin Density Waves in fcc Transition Metals″2007

    • Author(s)
      T.Uchida and Y.Kakehashi
    • Journal Title

      J.Phys.Soc.Jpn. 76

      Pages: 0870011-1

    • NAID

      10019468985

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nonlocal Excitation Spectra in Two-Dimensional Doped Hubbard Model2007

    • Author(s)
      Y.Kakehashi and P.Fulde
    • Journal Title

      J.Phys.Soc.Jpn. 76

      Pages: 1-11

    • NAID

      110006350766

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Presentation] Mn3Ptのノンコリニア磁気構造の第一原理分子動力学理論2010

    • Author(s)
      内田尚志, 梯祥郎
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学
    • Year and Date
      2010-03-20
    • Related Report
      2009 Final Research Report
  • [Presentation] Mn_3Ptのノンコリニア磁気構造の第一原理分子動力学理論2010

    • Author(s)
      内田尚志, 梯祥郎
    • Organizer
      日本物理学会 第65回年次大会
    • Place of Presentation
      岡山大学(岡山市)
    • Year and Date
      2010-03-20
    • Related Report
      2009 Annual Research Report
  • [Presentation] Mn3Ptの磁気構造の第一原理分子動力学理論2009

    • Author(s)
      内田尚志, 梯祥郎
    • Organizer
      日本物理学会2009年秋季大会
    • Place of Presentation
      熊本大学
    • Year and Date
      2009-09-27
    • Related Report
      2009 Final Research Report
  • [Presentation] Mn_3Ptの磁気構造の第一原理分子動力学理論2009

    • Author(s)
      内田尚志, 梯祥郎
    • Organizer
      日本物理学会 2009年秋季大会
    • Place of Presentation
      熊本大学(熊本市)
    • Year and Date
      2009-09-27
    • Related Report
      2009 Annual Research Report
  • [Presentation] First-principles molecular dynamics theory of magnetic structures and its application to Mn3Pt alloys2009

    • Author(s)
      T. Uchida, Y. Kakehashi
    • Organizer
      International Conference on Magnetism 2009
    • Place of Presentation
      カールスルーエ国際会議場(ドイツ)
    • Year and Date
      2009-07-27
    • Related Report
      2009 Final Research Report
  • [Presentation] First-principles molecular dynamics theory of magnetic structures and its application to Mn_3Pt alloys2009

    • Author(s)
      T.Uchida, Y.Kakehashi
    • Organizer
      International Conference on Magnetism 2009
    • Place of Presentation
      カールスルーエ(ドイツ)
    • Year and Date
      2009-07-27
    • Related Report
      2009 Annual Research Report
  • [Presentation] 第一原理分子動力学・磁気構造理論とそのMn3Ptへの応用II2009

    • Author(s)
      内田尚志, 梯祥郎
    • Organizer
      日本物理学会第64回年次大会
    • Place of Presentation
      立教大学池袋キャンパス
    • Year and Date
      2009-03-28
    • Related Report
      2009 Final Research Report
  • [Presentation] 第一原理分子動力学・磁気構造理論とそのMn_3Ptへの応用II2009

    • Author(s)
      内田尚志, 梯 祥郎
    • Organizer
      日本物理学会 第64回年次大会
    • Place of Presentation
      立教大学池袋キャンパス
    • Year and Date
      2009-03-28
    • Related Report
      2008 Annual Research Report
  • [Presentation] 第一原理分子動力学・磁気構造理論とそのMn3Ptへの応用2008

    • Author(s)
      内田尚志, 梯祥郎
    • Organizer
      琉球大学物性研究会
    • Place of Presentation
      琉球大学理学部
    • Year and Date
      2008-11-29
    • Related Report
      2009 Final Research Report
  • [Presentation] 第一原理分子動力学・磁気構造理論とそのMn_3Ptへの応用2008

    • Author(s)
      内田尚志, 梯 祥郎
    • Organizer
      琉球大学物性研究会
    • Place of Presentation
      琉球大学理学部
    • Year and Date
      2008-11-29
    • Related Report
      2008 Annual Research Report
  • [Presentation] 第一原理分子動力学・磁気構造理論とそのMn3Pt合金への応用2008

    • Author(s)
      内田尚志, 梯祥郎
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学本部キャンパス
    • Year and Date
      2008-03-26
    • Related Report
      2009 Final Research Report 2007 Annual Research Report
  • [Presentation] 第一原理LDA+動的CPA理論に基づくFeとNiの有限温度磁性2008

    • Author(s)
      梯 祥郎
    • Organizer
      日本物理学会第63回年次大会
    • Place of Presentation
      近畿大学本部キャンパス
    • Year and Date
      2008-03-26
    • Related Report
      2007 Annual Research Report
  • [Presentation] TB-LMTOハミルトニアンに基づく第一原理分子動力学・磁気構造理論2007

    • Author(s)
      内田尚志, 梯祥郎
    • Organizer
      日本物理学会第62回年次大会
    • Place of Presentation
      北海道大学札幌キャンパス
    • Year and Date
      2007-09-22
    • Related Report
      2009 Final Research Report 2007 Annual Research Report

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Published: 2007-04-01   Modified: 2020-05-15  

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