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Simulation of physical properties of graphene induced by substrates

Research Project

Project/Area Number 25390008
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Nanostructural physics
Research InstitutionKanazawa University

Principal Investigator

Saito Mineo  金沢大学, 数物科学系, 教授 (60377398)

Co-Investigator(Kenkyū-buntansha) 石井 史之  金沢大学, 数物科学系, 准教授 (20432122)
Project Period (FY) 2013-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2015: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2014: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2013: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywordsグラフェン / スピン分極 / スピン軌道相互作用 / ファンデルワールス力 / 強磁性体基板 / ラシュバ効果 / 第一原理計算 / 強磁性基板 / 基板 / 密度汎関数理論 / 量子伝導
Outline of Final Research Achievements

We studied how useful physical properties of graphene are induced by substrates. In particular, we find that the spin-orbit interaction which is very small in the free standing graphene is enhanced in the graphene layer which is the nearest to the Ni substrate. As a result, the Rashba effect becomes large. This finding is useful for the spintronics application of graphene.

Report

(5 results)
  • 2016 Annual Research Report   Final Research Report ( PDF )
  • 2015 Research-status Report
  • 2014 Research-status Report
  • 2013 Research-status Report
  • Research Products

    (52 results)

All 2017 2016 2015 2014 2013 Other

All Journal Article (13 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 13 results,  Open Access: 8 results,  Acknowledgement Compliant: 6 results) Presentation (38 results) (of which Int'l Joint Research: 1 results) Remarks (1 results)

  • [Journal Article] Spin-Polarized First-Principles Calculation of Momentum Densities of Fe2017

    • Author(s)
      I. Sugita and M. Saito
    • Journal Title

      J. Phys. Conf. Ser.

      Volume: 791 Pages: 012037-012037

    • DOI

      10.1088/1742-6596/791/1/012037

    • NAID

      120007184053

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Strain-controlled spin splitting in the conduction band of monolayer WS22016

    • Author(s)
      M.A.U. Absor, H. Kotaka, F. Ishii, and M. Saito
    • Journal Title

      Phys. Rev. B

      Volume: 94 Issue: 11

    • DOI

      10.1103/physrevb.94.115131

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] First-Principles Calculations of Multivacancies in Germanium2016

    • Author(s)
      Sholihun, F.Ishii, and M. Saito
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 55 Issue: 1 Pages: 011301-011301

    • DOI

      10.7567/jjap.55.011301

    • NAID

      210000145876

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Spin-split bands of metallic hydrogenated ZnO (10-10) surface: First-principles study2016

    • Author(s)
      M. A. Absor, F. Ishii, H. Kotaka, and M. Saito
    • Journal Title

      AIP Advances

      Volume: 6 Issue: 2

    • DOI

      10.1063/1.4942104

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Persistent Spin Helix on a Wurtzite ZnO (10-10) Surface: First-Principles Density-Functional Study2015

    • Author(s)
      M. A. Absor, F. Ishii, H. Kotaka, and M. Saito
    • Journal Title

      Appl. Phys. Express

      Volume: 8 Issue: 7 Pages: 073006-073006

    • DOI

      10.7567/apex.8.073006

    • NAID

      120005646686

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Density-functional-theory-based calculations of formation energy and concentration of the silicon monovacancy2015

    • Author(s)
      Sholihun, M. Saito, T. Ohno, and T. Yamasaki
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 54 Issue: 4 Pages: 041301-041301

    • DOI

      10.7567/jjap.54.041301

    • NAID

      120005838302

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Magnetism-Driven Electric Polarization of Multiferroic Quasi-One-Dimensional Ca3CoMnO6: First-Principles Study Using Density Functional Theory2014

    • Author(s)
      M. Nishida, F. Ishii, M. Saito
    • Journal Title

      Journal of Physical Society of Japan

      Volume: 83 Issue: 12 Pages: 124711-124711

    • DOI

      10.7566/jpsj.83.124711

    • NAID

      210000133381

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Band Gap Design of Thiophene Polymers Based on Density Functional Theory2014

    • Author(s)
      P. Lubis and M. Saito
    • Journal Title

      Jpn. J. Appl. Phys

      Volume: 53 Issue: 7 Pages: 071602-071602

    • DOI

      10.7567/jjap.53.071602

    • NAID

      210000144163

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Spin Polarized Positron Lifetimes in Ferromagnetic Metals:2014

    • Author(s)
      J. Lin, T. Yamasaki, and M. Saito
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 53 Issue: 5 Pages: 053002-053002

    • DOI

      10.7567/jjap.53.053002

    • Related Report
      2014 Research-status Report 2013 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Tunable Rashba effect on strained ZnO: First-principles density-functional study2014

    • Author(s)
      M. A. Absor, H. Kotaka, F. Ishii, and M. Saito
    • Journal Title

      Applied Physics Express

      Volume: 7 Issue: 5 Pages: 053002-053002

    • DOI

      10.7567/apex.7.053002

    • NAID

      210000137084

    • Related Report
      2014 Research-status Report 2013 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-Principles Study of Carrier-Induced Ferromagnetism in Bilayer and Multilayer Zigzag Graphene Nano Ribbons2014

    • Author(s)
      K. Sawada, F. Ishii, and M. Saito
    • Journal Title

      Applied Physics Letters

      Volume: 104

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Band Gap Design of Thiophene Polymers Based on Density Functional Theory2014

    • Author(s)
      P. Lubis and M. Saito
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 54

    • NAID

      210000144163

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Hydrogen Adsorption in Capped Armchair Edge (5,5) Carbon Nanotubes2013

    • Author(s)
      A. Setiadi, M. S. Alam, F. Muttaqien, and M. Saito
    • Journal Title

      Japanese Jounal of Applied Physics

      Volume: 52 Issue: 12R Pages: 125105-125105

    • DOI

      10.7567/jjap.52.125105

    • NAID

      210000143182

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] Hydrogen in GaN: First-principles calculation2016

    • Author(s)
      M. MInami et al.
    • Organizer
      International USMM & CMSI Workshop: Frontiers of Materials and Correlated Electron Science- from Bulk to Thin Films and Interfaces
    • Place of Presentation
      東京大学
    • Year and Date
      2016-01-06
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Presentation] GaN中ミュオニウムの超微細構造:第一原理計算2016

    • Author(s)
      見波将,斎藤峯雄, 石井史之, 籾田浩義, 小口多美夫
    • Organizer
      日本物理学会 2016年秋季大会
    • Place of Presentation
      金沢大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] 強磁性体における電子運動量密度の第一原理計算2016

    • Author(s)
      杉田到, 斉藤峯雄
    • Organizer
      日本物理学会 2016年秋季大会
    • Place of Presentation
      金沢大学
    • Related Report
      2016 Annual Research Report
  • [Presentation] GaN中ミュオニウムにおける超微細構造の第一原理計算2016

    • Author(s)
      斎藤峯雄
    • Organizer
      超低速ミュオンが拓く科学シンポジウム
    • Place of Presentation
      いばらき量子ビーム研究センター
    • Related Report
      2016 Annual Research Report
  • [Presentation] 結晶における電子運動量密度の第一原理計算2015

    • Author(s)
      杉田到, 斎藤峯雄
    • Organizer
      第29 回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ 新潟コンベンションセンター
    • Year and Date
      2015-12-01
    • Related Report
      2015 Research-status Report
  • [Presentation] GaN 中のミュオニウムにおける超微細構造定数 の計算2015

    • Author(s)
      見波将, 斎藤峯雄
    • Organizer
      第29 回分子シミュレーション討論会
    • Place of Presentation
      朱鷺メッセ 新潟コンベンションセンター
    • Year and Date
      2015-12-01
    • Related Report
      2015 Research-status Report
  • [Presentation] Hydrogen induced anisotropic Rashba effect on ZnO (10-10) surface:First-principles density-functional study2015

    • Author(s)
      Moh Adhib Ulil Absor, Fumiyuki Ishii, Hiroki Kotaka, and Mineo Saito
    • Organizer
      日本物理学会2015年秋季大会
    • Place of Presentation
      関西大
    • Year and Date
      2015-09-18
    • Related Report
      2015 Research-status Report
  • [Presentation] Comparative Study of Multivacancies in Silicon and Germanium:First-Principles Study2015

    • Author(s)
      Sholihun, Fumiyuki Ishii, and Mineo Saito
    • Organizer
      日本物理学会2015年秋季大会
    • Place of Presentation
      関西大
    • Year and Date
      2015-09-16
    • Related Report
      2015 Research-status Report
  • [Presentation] Spin texture of the persistent spin helix on the wurtzite ZnO (10-10) surface: first-principles study2015

    • Author(s)
      Moh Adhib Ulil Absor,Fumiyuki Ishii,Hiroki Kotaka,and Mineo Saito
    • Organizer
      日本物理学会 第70回年次大会
    • Place of Presentation
      早稲田大学、東京
    • Year and Date
      2015-03-24
    • Related Report
      2014 Research-status Report
  • [Presentation] First-principles Calculations of Multivacancies in Germanium2015

    • Author(s)
      Sholihun,Mineo Saito
    • Organizer
      日本物理学会 第70回年次大会
    • Place of Presentation
      早稲田大学、東京
    • Year and Date
      2015-03-23
    • Related Report
      2014 Research-status Report
  • [Presentation] シリセンにおける水素不純物の電子状態計算2015

    • Author(s)
      河渡祐里子,斎藤峯雄
    • Organizer
      日本物理学会 第70回年次大会
    • Place of Presentation
      早稲田大学、東京
    • Year and Date
      2015-03-23
    • Related Report
      2014 Research-status Report
  • [Presentation] GaN中水素不純物の電子構造計算2015

    • Author(s)
      白尾巧輔,河渡祐里子,Dinan Andiwijaya Kusuma,石井史之A,斎藤峯雄A
    • Organizer
      日本物理学会 第70回年次大会
    • Place of Presentation
      早稲田大学、東京
    • Year and Date
      2015-03-23
    • Related Report
      2014 Research-status Report
  • [Presentation] 人工超格子(LaAlO3)n/(ATiO3)n (A=Sr, Pb, Ba)における電気分極と電子状態の基板依存性の第一原理計算2014

    • Author(s)
      西田美穂,石井史之A,小鷹浩毅A,斎藤峯雄
    • Organizer
      日本物理学会 2014年秋季大会
    • Place of Presentation
      中部大学、春日井市
    • Year and Date
      2014-09-09
    • Related Report
      2014 Research-status Report
  • [Presentation] Rashba effect on clean and hydrogenated ZnO (10-10) non-polar surface: First-principles study2014

    • Author(s)
      Moh Adhib Ulil Absor,Hiroki Kotaka,Fumiyuki Ishii,and Mineo Saito
    • Organizer
      日本物理学会 2014年秋季大会
    • Place of Presentation
      中部大学、春日井市
    • Year and Date
      2014-09-09
    • Related Report
      2014 Research-status Report
  • [Presentation] Band gap of polythiophene derivatives: First-principles study2014

    • Author(s)
      Patricia Lubis and Mineo Saito
    • Organizer
      日本物理学会 2014年秋季大会
    • Place of Presentation
      中部大学、春日井市
    • Year and Date
      2014-09-09
    • Related Report
      2014 Research-status Report
  • [Presentation] Vibrational Effect on the Concentration of Silicon Monovacancies2014

    • Author(s)
      Sholihun,Mineo Saito
    • Organizer
      日本物理学会 2014年秋季大会
    • Place of Presentation
      中部大学、春日井市
    • Year and Date
      2014-09-07
    • Related Report
      2014 Research-status Report
  • [Presentation] 六員環構造を持つ層状物質の電子状態計算2014

    • Author(s)
      冨田涼介,大嶋寛之,斎藤峯雄
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Density functional theory calculation of positron annihilation in ferromagnetic metals2014

    • Author(s)
      林建波,斎藤峯雄
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] LaMO3/SrTiO3(M=Al,Mn)の第一原理計算:面方位と基板依存性2014

    • Author(s)
      西田美穂,石井史之,大西峰志,小鷹浩毅,斎藤峯雄
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Density Functional Theory Calculation of the Free energy of the Silicon Vacancy2014

    • Author(s)
      Sholihun and Mineo Saito
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] First principles calculations of thiophene derivatives2014

    • Author(s)
      Patricia Lubis and Mineo Saito
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Tunable Rashba spin rotation of strained ZnO: First-principles density functional study2014

    • Author(s)
      Moh Adhib Ulil Absor,Hiroki Kotaka,Fumiyuki Ishii,and Mineo Saito
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Ni基板上グラフェンの電子状態計算2014

    • Author(s)
      伊藤諭史,斉藤峯雄,石井史之
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] 遷移金属酸化物表面・界面における磁性不純物とラシュバ効果の第一原理計算2014

    • Author(s)
      石井史之,小鷹浩毅
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] 第一原理計算による遷移金属酸化物トポロジカル絶縁体の探索2014

    • Author(s)
      加藤毅大,小鷹浩毅,石井史之
    • Organizer
      日本物理学会 第69会年次大会プログラム
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] 酸化物界面における熱電効果の第一原理計算2014

    • Author(s)
      水田耀ピエール,石井史之
    • Organizer
      日本物理学会 第69会年次大会
    • Place of Presentation
      東海大学(神奈川県)
    • Related Report
      2013 Research-status Report
  • [Presentation] スラブ系の電子状態計算の開発と応用2013

    • Author(s)
      斎藤峯雄
    • Organizer
      物性研スパコン共同利用・CMSI合同研究会
    • Place of Presentation
      東京大学(千葉県)
    • Related Report
      2013 Research-status Report
  • [Presentation] BaTiO3の構造相転移過程におけるスピン分裂の第一原理計算2013

    • Author(s)
      大西峰志,石井史之,小鷹浩毅,斎藤峯雄
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学(徳島県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Spin-polarized positron lifetimes in ferromagnetic metals: First-principles study2013

    • Author(s)
      林建波,斎藤峯雄
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学(徳島県)
    • Related Report
      2013 Research-status Report
  • [Presentation] 人工超格子(LaMnO3)m/(SrTiO3)nの第一原理計算2013

    • Author(s)
      西田美穂,石井史之,斎藤峯雄,小鷹浩毅
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学(徳島県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Density Functional Study for Band Gap Design of Thiophene Derivatives2013

    • Author(s)
      Patricia Lubis,Mineo Saito
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学(徳島県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Spin texture in strained ZnO: A first principle study2013

    • Author(s)
      Moh Adhib Ulil Absor,Fumiyuki Ishii,Mineo Saito
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学(徳島県)
    • Related Report
      2013 Research-status Report
  • [Presentation] 空間反転対称性の破れた系におけるワイル点近傍のスピン分裂2013

    • Author(s)
      石井史之,小鷹浩毅
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学(徳島県)
    • Related Report
      2013 Research-status Report
  • [Presentation] ベリー曲率が寄与する熱電効果:二次元電子系の場合2013

    • Author(s)
      水田耀ピエール,石井史之
    • Organizer
      日本物理学会 2013年秋季大会
    • Place of Presentation
      徳島大学(徳島県)
    • Related Report
      2013 Research-status Report
  • [Presentation] First principles calculation of the PCBM on the TiO 2 anatase (001) surface2013

    • Author(s)
      Kiyotaka Fujino, Mineo Saito
    • Organizer
      3rd International Conference on Molecular Simulation
    • Place of Presentation
      神戸コンベンションセンター(兵庫県)
    • Related Report
      2013 Research-status Report
  • [Presentation] First-Principles Study of Artificial Superlattice (LaMnO 3 ) n /(SrTiO 3 ) m2013

    • Author(s)
      Miho Nishida, Fumiyuki Ishii, Hiroki Kotaka, Mineo Saito
    • Organizer
      3rd International Conference on Molecular Simulation
    • Place of Presentation
      神戸コンベンションセンター(兵庫県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Ab initio study of electric polarization and spin textures in ATiO 3 (A=Pb, Ba) with2013

    • Author(s)
      Takashi Onishi, Fumiyuki Ishii, Hiroki Kotaka, Mineo Saito
    • Organizer
      3rd International Conference on Molecular Simulation
    • Place of Presentation
      神戸コンベンションセンター(兵庫県)
    • Related Report
      2013 Research-status Report
  • [Presentation] Band Gap Design of Thiophene Polymer Based on The Density Functional Theory2013

    • Author(s)
      Patricia Lubis, Mineo Saito
    • Organizer
      3rd International Conference on Molecular Simulation
    • Place of Presentation
      神戸コンベンションセンター(兵庫県)
    • Related Report
      2013 Research-status Report
  • [Remarks] 金沢大学計算物性研究室

    • URL

      http://cphys.s.kanazawa-u.ac.jp/

    • Related Report
      2013 Research-status Report

URL: 

Published: 2014-07-25   Modified: 2019-07-29  

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