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2016 Fiscal Year Annual Research Report

Electronic properties of nanoscale interfaces consisting of nanocarbon materials and inorganic semiconductors

Research Project

Project/Area Number 25246010
Research InstitutionUniversity of Tsukuba

Principal Investigator

岡田 晋  筑波大学, 数理物質系, 教授 (70302388)

Co-Investigator(Kenkyū-buntansha) 山本 貴博  東京理科大学, 工学部教養, 准教授 (30408695)
松田 一成  京都大学, エネルギー理工学研究所, 教授 (40311435)
西永 慈郎  国立研究開発法人産業技術総合研究所, 太陽光発電研究センター, 研究員 (90454058)
Project Period (FY) 2013-05-31 – 2017-03-31
Keywordsナノ界面物性 / ナノ炭素物質 / 半導体
Outline of Annual Research Achievements

近年、低次元/ナノスケール物質からなる複合構造体の構築と、そのデバイス応用が注目されている。そこでは、構成物質自身の次元性とサイズの織り成す物性現象に加えて、構成物質間に存在する低次元ナノスケール界面の物性解明が必要不可欠である。本研究では、ナノカーボン物質と無機半導体によって形成されるナノスケール・低次元界面に対し、理論と実験の両側面から、低次元ナノ界面基礎物性の探索と解明を行い、その結果を基に低次元ナノスケール界面科学の基盤の構築を行う。
本年度は、六方晶窒化ホウ素(h-BN)は窒素とホウ素からなる2次元の原子層物質で、そのトポロジーがグラフェンのそれとほぼ一致していることから、グラフェンとの面内のヘテロ構造構築の点で興味が持たれている。また、当該物質はワイドギャップの半導体であることから、2次元絶縁体としても注目を集めている。ここでは、h-BN中に三角形型のグラフェンフレーク(フェナレニル分子)からなるヘテロ構造の電子状態の解明を行った。特に、グラフェンフレークが不対電子によるS=1/2のスピンを有することから、h-BNに埋め込まれたグレフェンフレークのスピン物性の解明を行った。計算から、h-BNに埋め込まれたグラフェンフレーク間のスピン-スピン相互作用は反強磁性的で、相互作用の大きさは、フレーク間距離が0.5nmで25meVで最大となり、フレーク間の増加に伴い速やかに減少し、1nmを越えると厳密にゼロとなることを明らかにした。また、分極したスピンの分布は境界を形成する原子種、すなわちB/C境界、N/C境界に依存して、境界における異種原子のπ軌道の混成により、異なる振る舞いを示すことが明らかになった。この結果は、h-BN中のグラフェン断片は量子ドットとして振舞うことを示したものである。

Research Progress Status

28年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

28年度が最終年度であるため、記入しない。

  • Research Products

    (23 results)

All 2016

All Journal Article (19 results) (of which Peer Reviewed: 18 results,  Acknowledgement Compliant: 19 results,  Open Access: 1 results) Presentation (4 results) (of which Int'l Joint Research: 4 results,  Invited: 1 results)

  • [Journal Article] Influence of the Defects on the Electronic Structures of Bilayer Graphene2016

    • Author(s)
      Ken Kishimoto and Susumu Okada
    • Journal Title

      Surface Science

      Volume: 644 Pages: 18 - 23

    • DOI

      10.1016/j.susc.2015.08.036

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Energetics and electronic structures of graphene nanoribbons under a lateral electric field2016

    • Author(s)
      Ayaka Yamanaka and Susumu Okada
    • Journal Title

      Carbon

      Volume: 96 Pages: 351-361

    • DOI

      10.1016/j.carbon.2015.09.054

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Magnetic Properties of Graphene Quantum Dots Embedded in h-BN Sheet2016

    • Author(s)
      Mina Maruyama and Susumu Okada
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 120 Pages: 1293-1302

    • DOI

      10.1021/acs.jpcc.5b09882

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Influence of electric field on electronic states of graphene nanoribbons under a FET structure2016

    • Author(s)
      Ayaka Yamanaka and Susumu Okada
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 55 Pages: 035101

    • DOI

      10.7567/JJAP.55.035101

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Influence of fullerene cages on energetics of dipole moment of encapsulated water molecule2016

    • Author(s)
      Jun-ya Sorimachi and Susumu Okada
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 55 Pages: 04EP02

    • DOI

      10.7567/JJAP.55.04EP02

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Anomalous electrostatic potential properties in CNT thin films under a weak external electric field2016

    • Author(s)
      U Ishiyama, Nguyen Thanh Cuong, and Susumu Okada
    • Journal Title

      Applied Physics Express

      Volume: 9 Pages: 045101

    • DOI

      10.7567/APEX.9.045101

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Geometric and electronic structures of corannulene polymers: Ultra narrow graphene ribbons with corrugation and topological defects2016

    • Author(s)
      Kohei Narita and Susumu Okada
    • Journal Title

      Chemical Physics Letters

      Volume: 650 Pages: 76 - 81

    • DOI

      10.1016/j.cplett.2016.02.075

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Effect of structural deformation on carrier accumulation in semiconducting carbon nanotubes under an external electric field2016

    • Author(s)
      Akiko Hasegawa and Susumu Okada
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 55 Pages: 045101

    • DOI

      10.7567/JJAP.55.045101

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Energetics and electronic structure of tubular Si nanoscale vacancies filled by carbon nanotubes2016

    • Author(s)
      Taketo Kochi and Susumu Okada
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 55 Pages: 055101

    • DOI

      10.7567/JJAP.55.055101

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Geometric and electronic structures of one-dimenisonally polymerized coronene molecules2016

    • Author(s)
      Kohei Narita and Susumu Okada
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 55 Pages: 06GF02

    • DOI

      10.7567/JJAP.55.06GF02

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electron-state tuning of bilayer graphene by defects2016

    • Author(s)
      Ken Kishimoto and Susumu Okada
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 55 Pages: 06GF06

    • DOI

      10.7567/JJAP.55.06GF06

    • Acknowledgement Compliant
  • [Journal Article] Electrostatic properties of fullerenes under an external electric field: First-principles calculations of energetics for all IPR isomers from C60 to C782016

    • Author(s)
      Jun-ya Sorimachi and Susumu Okada
    • Journal Title

      Chemical Physics Letters

      Volume: 659 Pages: 1-5

    • DOI

      10.1016/j.cplett.2016.06.022

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Effect of an intersection of carbon nanotubes on the carrier accumulation under an external electric field2016

    • Author(s)
      Taketo Kochi and Susumu Okada
    • Journal Title

      Applied Physics Express

      Volume: 9 Pages: 085103

    • DOI

      10.7567/APEX.9.085103

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Energetics and electronic structure of h-BN nanoribbons2016

    • Author(s)
      Ayaka Yamanaka and Susumu Okada
    • Journal Title

      Scientific Reports

      Volume: 6 Pages: 30653

    • DOI

      10.1038/srep30653

    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Polar properties of a hexagonally bonded GaN sheet under biaxial compression2016

    • Author(s)
      Yanlin Gao, Tomoe Yayama, and Susumu Okada
    • Journal Title

      Applied Physics Express

      Volume: 9 Pages: 095201

    • DOI

      10.7567/APEX.9.095201

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Coexsistence of Dirac cones and Kagome flat bands in two-dimensional network of hydrocarbon molecules2016

    • Author(s)
      Mina Maruyama, Nguyen Thanh Cuong, and Susumu Okada
    • Journal Title

      Carbon

      Volume: 109 Pages: 755-763

    • DOI

      10.1016/j.carbon.2016.08.090

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electronic structure modulation of graphene edges by chemical functionalization2016

    • Author(s)
      Remi Taira, Ayaka Yamanaka, and Susumu Okada
    • Journal Title

      Applied Physics Express

      Volume: 9 Pages: 115102

    • DOI

      10.7567/APEX.9.115102

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Electronic properties of pentaorgano [60]fullerenes under an external electric field2016

    • Author(s)
      Sho Furutani and Susumu Okada
    • Journal Title

      Applied Physics Express

      Volume: 9 Pages: 115103

    • DOI

      10.7567/APEX.9.115103

    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Fermi level pinning for the carrier accumulation in bilayer graphene with atomic defects by an external electric field2016

    • Author(s)
      Ken Kishimoto and Susumu Okada
    • Journal Title

      Applied Physics Letters

      Volume: 110 Pages: 011601

    • DOI

      10.1063/1.4973426.

    • Peer Reviewed / Acknowledgement Compliant
  • [Presentation] Electronic Properties of Nanoscale Materials under a Finite Electric Field2016

    • Author(s)
      Susumu Okada
    • Organizer
      The 19th Asian workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      National Chiao Tung University (新竹、台湾)
    • Year and Date
      2016-10-31 – 2016-11-02
    • Int'l Joint Research / Invited
  • [Presentation] Coexistence of Dirac Cone and Kagome Band in Two-Dimensional Network of Hydrocarbon Molecules2016

    • Author(s)
      Mina Maruyama and Susumu Okada
    • Organizer
      Seventeenth International Conference on the Science and Application of Nanotubes and Low-Dimensional Materials - NT16
    • Place of Presentation
      University of Vienna (ウィーン、オーストリア)
    • Year and Date
      2016-08-07 – 2016-08-13
    • Int'l Joint Research
  • [Presentation] Tuning of polarization of h-BN nanoribbons by the edge hydrogenatio2016

    • Author(s)
      Ayaka Yamanaka ans Susumu Okada
    • Organizer
      Seventeenth International Conference on the Science and Application of Nanotubes and Low-Dimensional Materials - NT16
    • Place of Presentation
      University of Vienna (ウィーン、オーストリア)
    • Year and Date
      2016-08-07 – 2016-08-13
    • Int'l Joint Research
  • [Presentation] Energetics and electronic structures of GaN thin films2016

    • Author(s)
      Yanlin Gao and Susumu Okada
    • Organizer
      Seventeenth International Conference on the Science and Application of Nanotubes and Low-Dimensional Materials - NT16
    • Place of Presentation
      University of Vienna (ウィーン、オーストリア)
    • Year and Date
      2016-08-07 – 2016-08-13
    • Int'l Joint Research

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Published: 2018-01-16  

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