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Ab-initio study of topological chalcogenide van-der-Waals heterostructures and superlattices

Research Project

Project/Area Number 16K04896
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Nanomaterials chemistry
Research InstitutionNational Institute of Advanced Industrial Science and Technology

Principal Investigator

Kolobov Alexander  国立研究開発法人産業技術総合研究所, エレクトロニクス・製造領域, 首席研究員 (60357043)

Co-Investigator(Renkei-kenkyūsha) TOMINAGA Junji  国立研究開発法人産業技術総合研究所, ナノエレクトロニクス研究部門, 首席研究員 (10357577)
FONS Paul  国立研究開発法人産業技術総合研究所, ナノエレクトロニクス研究部門, 上級主任研究員 (90357880)
SAITO Yuta  国立研究開発法人産業技術総合研究所, ナノエレクトロニクス研究部門, 主任研究員 (50738052)
Project Period (FY) 2016-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2018: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Keywords層状カルコゲナイド / ファンデルワールス / 電子状態 / 第一原理計算 / 密度汎関数理論 / 超格子 / ヘテロ構造 / 応力制御 / chalcogenides / van der Waals solids / electronic structure / strain control / superlattices / van der Waals / topological insulators / dichalcogenides / heterostrictures / ナノ材料 / 計算物理 / 電子・電気材料
Outline of Final Research Achievements

In this research project, we have carried out systematic investigations based on theoretical simulation for crystal and electronic structures of layered chalcogenide materials and their heterostructure as novel future electronics materials.
The main findings of the project are (1) theoretical prediction of an electronic excitation-induced semiconductor-metal phase transition in MoTe2, (2) proposal of a MoS2 substrate for van der Waals epitaxy a few layers GaN, (3) topological band structures and stress-induced tuning thereof in GeTe/Sb2Te3 superlattice, and (4) understanding the origin of electrical contrast in GeTe/Sb2Te3 superlattice. We believe that these observations will provide important insights for future development of novel chalcogenide-based devices.

Academic Significance and Societal Importance of the Research Achievements

本研究では、理論計算を中心に原子レベルの超極薄膜の電子状態について様々な観点から調査した。層状カルコゲナイドと総称される材料系では、原子レベルまで薄くなるとその特性が大きく変わることが知られているため、実験だけでなく、理論計算による予測が非常に重要な役割を果たす。本研究の理論計算によって、極薄膜の層状カルコゲナイドにおける構造や電子状態に関する多くの新たな知見を得ることができ、次世代の電子デバイス応用に向けて材料学的な見地から大きな貢献を行なった。

Report

(4 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (19 results)

All 2019 2018 2017 2016

All Journal Article (7 results) (of which Int'l Joint Research: 6 results,  Peer Reviewed: 7 results,  Open Access: 2 results,  Acknowledgement Compliant: 1 results) Presentation (12 results) (of which Int'l Joint Research: 11 results,  Invited: 5 results)

  • [Journal Article] Origin of resistivity contrast in interfacial phase-change memory: The crucial role of Ge/Sb intermixing2019

    • Author(s)
      Saito Yuta、Kolobov Alexander V.、Fons Paul、Mitrofanov Kirill V.、Makino Kotaro、Tominaga Junji、Robertson John
    • Journal Title

      Applied Physics Letters

      Volume: 114 Issue: 13 Pages: 132102-132102

    • DOI

      10.1063/1.5088068

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] SSC 2018: Kolobov AV: Chalcogenide van der Waals superlattices: a case example of interfacial phase-change memory2019

    • Author(s)
      Saito Yuta、Fons Paul、Mitrofanov Kirill V.、Makino Kotaro、Tominaga Junji、Robertson John、Kolobov Alexander V.
    • Journal Title

      Pure and Applied Chemistry

      Volume: - Issue: 11 Pages: 1777-1786

    • DOI

      10.1515/pac-2019-0105

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Reconfiguration of van der Waals Gaps as the Key to Switching in GeTe/Sb2Te3 Superlattices2018

    • Author(s)
      Kolobov A.V.、Fons P.、Saito Y.、Tominaga J.
    • Journal Title

      MRS Advances

      Volume: 3 Issue: 57-58 Pages: 3413-3418

    • DOI

      10.1557/adv.2018.444

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Atomic Reconfiguration of van der Waals Gaps as the Key to Switching in GeTe/Sb2Te3 Superlattices2017

    • Author(s)
      A.V. Kolobov, P. Fons, Y. Saito, J. Tominaga
    • Journal Title

      ACS Omega

      Volume: 2 Issue: 9 Pages: 6223-6232

    • DOI

      10.1021/acsomega.7b00812

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Manipulating the Bulk Band Structure of Artificially Constructed van der Waals Chalcogenide Heterostructures2017

    • Author(s)
      Yuta Saito, K. Makino, P. Fons, A.V. Kolobov, J. Tominaga
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 9 Issue: 28 Pages: 23918-23925

    • DOI

      10.1021/acsami.7b04450

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Strain engineering of atomic and electronic structures of few-monolayer-thick GaN2017

    • Author(s)
      A. V. Kolobov, P. Fons, Y. Saito, J. Tominaga, B. Hyot, B. Andre
    • Journal Title

      Phys. Rev. Materials

      Volume: 1 Issue: 2

    • DOI

      10.1103/physrevmaterials.1.024003

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Electronic excitation-induced semiconductor-to-metal transition in monolayer MoTe22016

    • Author(s)
      Kolobov, Fons, Tominaga
    • Journal Title

      Physical Review B

      Volume: B94 Issue: 9 Pages: 094114-094114

    • DOI

      10.1103/physrevb.94.094114

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Presentation] Van der Waals chalcogenide superlattices for advanced applications2018

    • Author(s)
      Kolobov Alexander, Fons Paul, Yuta Saito, Mitrofanov Kirill, Junji Tominaga
    • Organizer
      13th International Conference on Solid State Chemistry
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Reconfiguration of the SbTe-terminated van der Waals gap as a switching mechanism in GeTe-Sb2Te3 superlattices2018

    • Author(s)
      Kolobov Alexander, Fons Paul, Yuta Saito, Junji Tominaga
    • Organizer
      European Phase-Change and Ovonic Symposium 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Van der Waals Gap Reconfiguration and Role of Antimony in Interfacial Phase-change Memory2018

    • Author(s)
      Kolobov Alexander, Fons Paul, Yuta Saito, Junji Tominaga
    • Organizer
      Non-Volatile Memory Technology Symposium 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Understanding the switching mechanism of GeTe/Sb2Te32018

    • Author(s)
      Yuta Saito, Alexander V. Kolobov, Paul Fons, Kirill V. Mitrofanov, Kotaro Makino, Junji Tominaga, and John Robertson
    • Organizer
      30th Symposium on Phase Change Oriented Science 2018 (PCOS2018)
    • Related Report
      2018 Annual Research Report
  • [Presentation] Understanding the switching mechanism of interfacial phase change memory2018

    • Author(s)
      Yuta Saito, Alexander V. Kolobov, Paul Fons, Kirill V. Mitrofanov, Kotaro Makino, Junji Tominaga, and John Robertson
    • Organizer
      Non-Volatile Memory Technology Symposium (NVMTS) 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Sputter Growth of Chalcogenide Superlattice Films for Future Phase Change Memory Applications2018

    • Author(s)
      Yuta Saito, Kirill V. Mitrofanov, Kotaro Makino, N. Miyata, Paul Fons, Alexander V. Kolobov, and Junji Tominaga
    • Organizer
      Americas International Meeting on Electrochemistry and Solid State Science (AiMES) 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Understanding the crystalline and electronic structure of GeTe/Sb2Te3 chalcogenide superlattices2018

    • Author(s)
      Yuta Saito, Alexander V. Kolobov, Paul Fons, Kirill V. Mitrofanov, Kotaro Makino, Junji Tominaga, and John Robertson
    • Organizer
      European Phase Change and Ovonics Symposium 2018 (EPCOS2018)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Sputter-grown 2D-TI/3D-TI stacking films in the Bi-Te binary system2018

    • Author(s)
      Yuta Saito, Paul Fons, Kotaro Makino, Kirill V. Mitrofanov, Fumihiko Uesugi, Masaki Takeguchi, Alexander V. Kolobov, and Junji Tominaga
    • Organizer
      New Trends in Topological Insulators (NTTI2018) and Narrow Gap Systems (NGS18)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Van der Waals Gap Reconfiguration and Switching Mechanism in Ge-Sb-Te Superlattices2018

    • Author(s)
      Kolobov Alexander, Fons Paul, Yuta Saito, Junji Tominaga
    • Organizer
      CIMTEC 2018 8th Forum on New Materials
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Topological heterostructures of layered telluride compounds2018

    • Author(s)
      Y. Saito, K. Makino, P. Fons, A. V. Kolobov, J. Tominaga
    • Organizer
      15th Annual Congress on Materials Research and Technology, Paris, France
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Role of van der Waals Interactions in Transition Metal Dichalcogenide Capped Topological Insulators2017

    • Author(s)
      P. Fons, A.V. Kolobov, J. Tominaga
    • Organizer
      Materials Research Society Fall Meeting 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Electronic Excitation-induced semiconductor-to-metal transition in monolayer MoTe22016

    • Author(s)
      Fons, Kolobov Tominaga
    • Organizer
      Materials Research Society 2016 Fall Meeting
    • Place of Presentation
      Boston, USA
    • Year and Date
      2016-11-28
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research

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Published: 2016-04-21   Modified: 2020-03-30  

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