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不揮発性抵抗変化メモリの動作機構解明と集積化への展開

Publicly Offered Research

Project AreaMolecular Architectonics: Orchestration of Single Molecules for Novel Function
Project/Area Number 16H00952
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionHokkaido University

Principal Investigator

中山 哲  北海道大学, 触媒科学研究所, 准教授 (10422007)

Project Period (FY) 2016-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥5,720,000 (Direct Cost: ¥4,400,000、Indirect Cost: ¥1,320,000)
Fiscal Year 2017: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2016: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Keywords第一原理計算 / 抵抗変化型メモリ / 第一原理シミュレーション / 不揮発性抵抗変化メモリ / ReRAM
Outline of Annual Research Achievements

不揮発性抵抗変化型ランダムアクセスメモリ(ReRAM)は抵抗変化が高速であり、大きな抵抗変化比を保ったまま微細加工できるために次世代メモリとして期待されている。酸化物(Ox)を金属電極(M)で挟んだM-Ox-M構造における抵抗スイッチ効果を利用したメモリの研究開発が活発に行われており、本研究では、第一原理計算によって、その伝導パスの形成過程と動作機構に着目した計算を行った。
本年度は、前年度までのタンタル酸化物を用いた抵抗変化メモリに関する研究を引き続き行った。まずは、酸化物中の欠陥生成エネルギーと欠陥移動のエネルギー障壁を算出することで、欠陥の移動経路を特定した。次に、タンタル酸化物中の酸素濃度を変化させ、伝導パスの安定性について議論した。同じ酸素濃度の条件で、Ta-Ta結合ネットワークによって伝導パスが存在する構造と、ランダムに酸素原子を配置させた構造でエネルギーの比較を行い、伝導パスが形成されている方がエネルギー的に安定であることを示した。また、M-Ta2O5-M構造として、タンタル金属を電極としたモデル系を構築し、Accelerated MD法を用いて酸化物中の酸素イオンを電極側に移動させるシミュレーションを行った。この過程をSET/RESET動作とみなし、移動前後で大きな抵抗比を再現できることを示した。統計量を増やした上で抵抗スイッチングに必要な力の定量的算出を行い、移動前後の酸素欠陥分布の安定性についても議論した。

Research Progress Status

29年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

29年度が最終年度であるため、記入しない。

Report

(2 results)
  • 2017 Annual Research Report
  • 2016 Annual Research Report

Research Products

(25 results)

All 2018 2017 2016

All Journal Article (8 results) (of which Int'l Joint Research: 2 results,  Peer Reviewed: 8 results,  Acknowledgement Compliant: 5 results) Presentation (17 results) (of which Int'l Joint Research: 12 results,  Invited: 12 results)

  • [Journal Article] Thermally activated delayed fluorescence OLEDs with fully solution processed organic layers exhibiting nearly 10% external quantum efficiency2017

    • Author(s)
      Ken Albrecht, Kenichi Matsuoka, Daisuke Yokoyama, Yoshiya Sakai, Akira Nakayama, Katsuhiko Fujita, Kimihisa Yamamoto
    • Journal Title

      Chem. Comm.

      Volume: 53 Pages: 2439-2442

    • DOI

      10.1039/c6cc09275f

    • Related Report
      2017 Annual Research Report 2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Photo-induced b-Elimination of 9-Fluorenylmethanol Leading to Dibenzofulvene2017

    • Author(s)
      H. Nageh, L. Zhao, A. Nakayama, J. Hasegawa, Y. Wang, and T. Nakano
    • Journal Title

      Chemical Communications

      Volume: 53 Pages: 8431-8434

    • DOI

      10.1039/c7cc03297h

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Formation of a New, Strongly Basic Nitrogen Anion by Metal Oxide Modification2017

    • Author(s)
      M. Tamura, R. Kishi, A. Nakayama, Y. Nakagawa, J. Hasegawa, and K. Tomishige
    • Journal Title

      Journal of the American Chemical Society

      Volume: 139 Pages: 11857-11867

    • DOI

      10.1021/jacs.7b05227

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Catalytic Cyclopropanation by Myoglobin Reconstituted with Iron Porphycene: Acceleration of Catalysis due to Rapid Formation of the Carbene Species2017

    • Author(s)
      K. Oohora, H. Meichin, L. Zhao, M. W. Wolf, A. Nakayama, J. Hasegawa, N. Lehnert, and T. Hayashi
    • Journal Title

      Journal of the American Chemical Society

      Volume: 139 Pages: 17265-17268

    • DOI

      10.1021/jacs.7b10154

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] A DFT and multi-configurational perturbation theory study on O2 binding to a model heme compound via the spin-change barrier2016

    • Author(s)
      Y. Kitagawa, Y. Chen, N. Nakatani, A. Nakayama, and J. Hasegawa
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 18 Pages: 18137-18144

    • DOI

      10.1039/c6cp02329k

    • NAID

      120006324911

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Spin-Blocking Effect in CO and H2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point2016

    • Author(s)
      K. Watanabe, N. Nakatani, A. Nakayama, M. Higashi, and J. Hasegawa
    • Journal Title

      Inorganic Chemistry

      Volume: 55 Pages: 8082-8090

    • DOI

      10.1021/acs.inorgchem.6b01187

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electronic Polarization Effect of the Water Environment in Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential Model Study2016

    • Author(s)
      K. Yanai, K. Ishimura, A. Nakayama, M. W. Schmidt, M. S. Gordon, and J. Hasegawa
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 120 Pages: 10273-10280

    • DOI

      10.1021/acs.jpca.6b10552

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] A QM/MM Study of Absorption Spectra of Uracil Derivatives in Aqueous Solution2016

    • Author(s)
      A. Nakayama
    • Journal Title

      AIP Conference Proceedings

      Volume: 1790

    • DOI

      10.1063/1.4968644

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Presentation] Catalytic Reactions at the Liquid/CeO2 Interface: Role of the Acid-Base and Redox Sites2018

    • Author(s)
      A. Nakayama
    • Organizer
      Pure and Applied Chemistry International Conference 2018 (PACCON 2018)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Role of the Acid-Base and Redox Sites on Catalytic Reactions at the Liquid/CeO2 Interface2018

    • Author(s)
      A. Nakayama
    • Organizer
      International Congress on Pure & Applied Chemistry (ICPAC) 2018
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 第一原理反応ダイナミクス計算による光機能性材料と不均一系触媒の理論的設計2018

    • Author(s)
      中山哲
    • Organizer
      日本化学会第98春季年会,中長期テーマシンポジウム
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 固体酸化物/液相界面における触媒反応2018

    • Author(s)
      中山哲
    • Organizer
      研究会「化学反応のポテンシャル曲面とダイナミックス」
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] First-principles simulations of catalytic reactions at the liquid/CeO2 interface: role of the acid-base sites2017

    • Author(s)
      A. Nakayama
    • Organizer
      International Symposium on Pure & Applied Chemistry (ISPAC) 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Catalytic Reactions at the Liquid/Metal-Oxide Interface: Role of the Acid-Base Sites2017

    • Author(s)
      A. Nakayama
    • Organizer
      The 21th International Annual Symposium on Computational Science and Engineering (ANSCSE 21)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] First-Principles Simulations of Catalytic Reactions at the Liquid/Ceria Interface2017

    • Author(s)
      A. Nakayama
    • Organizer
      The 9th Conference of the Asian Consortium on Computational Materials Science (ACCMS-9)
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 第一原理計算による酸化セリウム触媒の機能解析2017

    • Author(s)
      中山哲
    • Organizer
      第120回触媒討論会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Hydration of Nitriles at the Water/Metal-Oxide Interface: First-Principles Molecular Dynamics Simulations2017

    • Author(s)
      A. Nakayama
    • Organizer
      EMN Meeting on Computation and Theory 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Catalytic Reactions at the Water/CeO2 Interface: Hydration of 2-Cyanopyridine2017

    • Author(s)
      A. Nakayama, M. Tamura, K. Shimizu, and J. Hasegawa
    • Organizer
      CPMD2017 Workshop
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Catalytic Reactions at the Water/CeO2 Interface: Hydration of 2-Cyanopyridine2017

    • Author(s)
      A. Nakayama, M. Tamura, K. Shimizu, and J. Hasegawa
    • Organizer
      The 5th Ito International Research Conference, RIKEN Centennial Anniversary, ISSP International Workshop & Surface and Interface Spectroscopy 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 酸化セリウム触媒の酸・塩基特性に関する理論的研究2016

    • Author(s)
      中山哲,田村正純,清水研一,長谷川淳也
    • Organizer
      第30回分子シミュレーション討論会
    • Place of Presentation
      大阪大学(大阪府豊中市)
    • Year and Date
      2016-11-30
    • Related Report
      2016 Annual Research Report
  • [Presentation] Catalytic reactions at the liquid/metal-oxide interface: role of the acid-base sites2016

    • Author(s)
      A. Nakayama
    • Organizer
      Japan-France-Spain Joint Symposium on Theoretical and Computational Science of Complex Systems
    • Place of Presentation
      京都大学(京都府京都市)
    • Year and Date
      2016-10-26
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Catalytic Reactions at the Water/Ceria Interface: Role of the Acid-Base Sites2016

    • Author(s)
      A. Nakayama
    • Organizer
      JST International Symposium on Multi-Scale Simulation of Condensed-Phase Reacting Systems (MSCRS2016)
    • Place of Presentation
      名古屋大学(愛知県名古屋市)
    • Year and Date
      2016-10-10
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 酸化セリウム触媒の酸・塩基特性に関する理論的研究2016

    • Author(s)
      中山哲,田村正純,清水研一,長谷川淳也
    • Organizer
      第118回触媒討論会
    • Place of Presentation
      岩手大学(岩手県盛岡市)
    • Year and Date
      2016-09-21
    • Related Report
      2016 Annual Research Report
  • [Presentation] Role of the Acid-Base Sites in Catalytic Reactions at the Water/CeO2(111) Interface: First-Principles Simulations2016

    • Author(s)
      A. Nakayama
    • Organizer
      International Symposium on Pure & Applied Chemistry (ISPAC) 2016
    • Place of Presentation
      クチン(マレーシア)
    • Year and Date
      2016-08-15
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] First-Principles Simulations of Catalytic Reactions at the Water/CeO2(111) Interface: Role of the Acid-Base Sites2016

    • Author(s)
      A. Nakayama, M. Tamura, K. Shimizu, and J. Hasegawa
    • Organizer
      ICC Pre-symposium of 16th International Congress on Catalysis
    • Place of Presentation
      北海道大学(北海道札幌市)
    • Year and Date
      2016-06-30
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research

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Published: 2016-04-26   Modified: 2018-12-17  

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