• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Development and application of the density functional approach with spin density magnetic dipole interaction

Research Project

Project/Area Number 18K04923
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 29010:Applied physical properties-related
Research InstitutionKanazawa University

Principal Investigator

Oda Tatsuki  金沢大学, 数物科学系, 教授 (30272941)

Project Period (FY) 2018-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2020: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2019: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2018: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Keywords磁気異方性エネルギー / スピン軌道相互作用 / スピントロニクス / マルチフェロイクス / ノンコリニアスピン密度汎関数理論 / スピン分極密度汎関数理論 / 形状磁気異方性 / 磁気双極子相互作用 / 密度汎関数法 / ノンコリニア磁気構造 / 傾角磁気構造
Outline of Final Research Achievements

In the project, we successfully developed and implemented the computational method that the magnetic dipole interaction energy is self-consistently determined with the spin density of system in the framework of spin-polarized density functional theory. This success of self-consistent calculation allowed us to analyze magnetic properties of materials under explicit external magnetic field. On the applications, in the spintronics application materials of ferromagnetic nanofilm with the Fe/MgO interface and Co/Ni-based ferromagnetic nano multilayer film, our computational results revealed that the experimental results in the recent literature can be well explained qualitatively and quantitatively. This demonstrated that the computational method we have developed is so good enough that it can clarify magnetic properties of film in non-empirical way.

Academic Significance and Societal Importance of the Research Achievements

磁気双極子相互作用エネルギーをスピン密度から計算することに成功したことにより、表面・界面における原子サイズあるいはナノスケールのスピン密度変化(四重極子成分等)に由来する磁気異方性を高精度に取り込むことができる学術的重要な意義がる。これにより、これまで科学データに基づいて描かれることが少なかった原子サイズの磁力線を描くことが可能となり、それにより、マクロスケールの磁石への理解と同様に、ナノ物質磁性への理解が容易になる社会的意義がある。

Report

(4 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • Research Products

    (28 results)

All 2020 2019 2018 Other

All Int'l Joint Research (1 results) Journal Article (13 results) (of which Int'l Joint Research: 9 results,  Peer Reviewed: 13 results,  Open Access: 3 results) Presentation (11 results) (of which Int'l Joint Research: 8 results,  Invited: 2 results) Remarks (3 results)

  • [Int'l Joint Research] Institut Teknologi Sumatera/Telkom University(インドネシア)

    • Related Report
      2018 Research-status Report
  • [Journal Article] Anatomy of large perpendicular magnetic anisotropy in free-standing Co/Ni (1 1 1) multilayer2020

    • Author(s)
      Pardede Indra、Yoshikawa Daiki、Kanagawa Tomosato、Ikhsan Nurul、Murata Itsuki、Obata Masao、Oda Tatsuki
    • Journal Title

      Journal of Magnetism and Magnetic Materials

      Volume: 500 Pages: 166357-166357

    • DOI

      10.1016/j.jmmm.2019.166357

    • Related Report
      2020 Annual Research Report 2019 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Finite electric-field approach to evaluate the vertex correction for the screened Coulomb interaction in the quasiparticle self-consistent GW method2020

    • Author(s)
      Sakakibara Hirofumi、Kotani Takao、Obata Masao、Oda Tatsuki
    • Journal Title

      Physical Review B

      Volume: 101 Issue: 20 Pages: 1-8

    • DOI

      10.1103/physrevb.101.205120

    • NAID

      120006848513

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Density Functional Approach under External Magnetic Field2020

    • Author(s)
      Rio Afrioni Roma、Pardede Indra、Gani Achmad Maulana、Christivana Mega、Obata Masao、Oda Tatsuki
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 89 Issue: 3 Pages: 035002-035002

    • DOI

      10.7566/jpsj.89.035002

    • NAID

      210000158033

    • Related Report
      2020 Annual Research Report 2019 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Electronic structure investigation of spinel NiCo2O4 from quasi-particle self-consistent GW method2020

    • Author(s)
      Hasan Al Rasyid, Masao Obata, Indra Pardede, Marleni Wirmas, Takao Kotani, and Tatsuki Oda
    • Journal Title

      The Science Reports of Kanazawa University

      Volume: 64

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Anatomy of Magnetic Anisotropy and Voltage-Controlled Magnetic Anisotropy in Metal Oxide Heterostructure from First Principles2020

    • Author(s)
      Pardede Indra、Yoshikawa Daiki、Kanagawa Tomosato、Ikhsan Nurul、Obata Masao、Oda Tatsuki
    • Journal Title

      Crystals

      Volume: 10 Issue: 12 Pages: 1118-1118

    • DOI

      10.3390/cryst10121118

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Noncollinear Magnetic Structure with Spin-dependent van der Waals Density Functional Approach: β-phase Solid Oxygen2019

    • Author(s)
      Christivana Mega、Obata Masao、Oda Tatsuki
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 88 Issue: 10 Pages: 104601-104601

    • DOI

      10.7566/jpsj.88.104601

    • NAID

      40022034127

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Large nonvolatile control of interfacial magnetic anisotropy in CoPt by a ferroelectric ZnO-based tunneling barrier2019

    • Author(s)
      Al-Mahdawi Muftah、Belmoubarik Mohamed、Obata Masao、Yoshikawa Daiki、Sato Hideyuki、Nozaki Tomohiro、Oda Tatsuki、Sahashi Masashi
    • Journal Title

      Physical Review B

      Volume: 100 Issue: 5 Pages: 054423-054423

    • DOI

      10.1103/physrevb.100.054423

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Implementation of magnetic dipole interaction in the planewave-basis approach for slab systems2018

    • Author(s)
      Tatsuki Oda and Masao Obata
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 87 Issue: 6 Pages: 064803-064803

    • DOI

      10.7566/jpsj.87.064803

    • NAID

      210000134876

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] A comprehensive Study of Sign Change in Electric Field Control Perpendicular Magnetic Anisotropy Energy at Fe/MgO Interface: First Principles Calculation2018

    • Author(s)
      Indra Pardede, Tomosato Kanagawa, Nurul Ikhsan, Itsuki Murata1, Daiki Yoshikawa, Masao Obata, and Tatsuki Oda
    • Journal Title

      IEEE Transactions on Magnetics

      Volume: 55 Issue: 2 Pages: 1-4

    • DOI

      10.1109/tmag.2018.2860581

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Perpendicular and in-plane magnetic anisotropies in Cr-buffered Fe(x)/MgO interface from first-principles approach2018

    • Author(s)
      Nurul Ikhsan, Tomosato Kanagawa, Indra Pardede, Daiki Yoshikawa, and Tatsuki Oda
    • Journal Title

      The Science Reports of Kanazawa University

      Volume: 62 Pages: 23-35

    • NAID

      120006629669

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Fermi level smearing effect in the perpendicular interface Fe/MgO magnetic anisotropy2018

    • Author(s)
      Nurul Ikhsan, Indra Pardede, Tomosato Kanagawa, Daiki Yoshikawa, and Tatsuki Oda
    • Journal Title

      The Science Reports of Kanazawa University

      Volume: 62 Pages: 37-49

    • NAID

      120006629670

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Shape Magnetic Anisotropy from Spin Density in Nanoscale Slab Systems2018

    • Author(s)
      Tatsuki Oda, Indra Pardede, Tomosato Kanagawa, Nurul Ikhsan, Daiki Yoshikawa, and
    • Journal Title

      IEEE Transactions on Magnetics

      Volume: 55 Issue: 2 Pages: 1-4

    • DOI

      10.1109/tmag.2018.2868843

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Investigation of magnetic dipole-dipole interaction using magnetic density on solid oxygen based on first-principles approach2018

    • Author(s)
      Masao Obata, Mega Christivana, and Tatsuki Oda
    • Journal Title

      AIP Advances

      Volume: 8 Issue: 10

    • DOI

      10.1063/1.5043062

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Presentation] ノンコリニアスピン密度汎関数法の開発・実装・応用2019

    • Author(s)
      小田竜樹
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の新展開」
    • Related Report
      2019 Research-status Report
    • Invited
  • [Presentation] ナノ構造スラブ系の磁気異方性計算とラシュバ効果2019

    • Author(s)
      小田竜樹,インドラ パルデデ,吉川大輝,金川朋賢,北岡優也,小幡正雄
    • Organizer
      日本物理学会 2019年秋季大会
    • Related Report
      2019 Research-status Report
  • [Presentation] First-principles magnetic dipole-dipole energy calculation, Application to magnetic chain, film, and bulk systems2019

    • Author(s)
      Masao Obata, Indra Pardede, Daiki Yoshikawa, Tatsuki Oda
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Magnetic Anisotropy in Antiferromagnet: First Principles Calculation2019

    • Author(s)
      Indra Pardede, Daiki Yoshikawa, Afrioni Roma Rio, Tomosato Kanagawa, Masao Obata Tatsuki Oda
    • Organizer
      The 19th International Conference on Solid Films and Surfaces (ICSFS19)
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Anatomy of Large Perpendicular Magnetic Anisotropy Energy in Co/Ni (111) Multilayer2019

    • Author(s)
      Indra Pardede, Tomosato Kanagawa, Nurul Ikhsan, Itsuki Murata, Daiki Yoshikawa, Masao Obata, Tatsuki Oda
    • Organizer
      The 66th Japan Society of Applied Physics (JSAP) Spring Meeting
    • Related Report
      2018 Research-status Report
  • [Presentation] Shape Magnetic Anisotropy from Spin Density in Nanoscale Slab Systems2018

    • Author(s)
      Tatsuki Oda, Indra Pardede, Tomosato Kanagawa, Nurul Ikhsan, Daiki Yoshikawa, Masao Obata
    • Organizer
      21th International Conference on Magnetism
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Investigation of magnetic dipole-dipole interaction using magnetic density on solid oxygen based on first-principles approach2018

    • Author(s)
      Masao Obata, Mega Christivana, Tatsuki Oda
    • Organizer
      21th International Conference on Magnetism
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] A comprehensive Study of Sign Change in Electric Field Control Perpendicular Magnetic Anisotropy Energy at Fe/MgO Interface: First Principles Calculation2018

    • Author(s)
      Indra Pardede, Tomosato Kanagawa, Nurul Ikhsan, Itsuki Murata, Daiki Yoshikawa Masao Obata, Tatsuki Oda
    • Organizer
      21th International Conference on Magnetism
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Magnetic and molecular structure of solid oxygen via first-principles approach2018

    • Author(s)
      Masao Obata, Mega Christivana, Tatsuki Oda
    • Organizer
      International Workshop on Computational Science 2018
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Magnetic dipole-dipole energy evaluation on 1D, 2D, and 3D periodicities using density functional approach2018

    • Author(s)
      Masao Obata, Indra Pardede, Daiki Yoshikawa, Nurul Ikhsan, Tatsuki Oda
    • Organizer
      The 21st Asian Workshop on First-principles Electronic Structure Calculations
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] First-principles density functional study in the magnetically and electrically polarized Pt/CoO/ZnO2018

    • Author(s)
      Daiki Yoshikawa, Masao Obata, Indra Pardede, Tatsuki Oda
    • Organizer
      The 21st Asian Workshop on First-principles Electronic Structure Calculations
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Remarks] 計算ナノ科学

    • URL

      http://cphys.s.kanazawa-u.ac.jp/~oda-web/index.html

    • Related Report
      2019 Research-status Report
  • [Remarks] Theoretical and Computational Nanoscience

    • URL

      http://cphys.s.kanazawa-u.ac.jp/~oda-web/index-eng.html

    • Related Report
      2019 Research-status Report
  • [Remarks] ホーム|計算ナノ科学

    • URL

      http://cphys.s.kanazawa-u.ac.jp/~oda-web/index.html

    • Related Report
      2018 Research-status Report

URL: 

Published: 2018-04-23   Modified: 2022-01-27  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi