Theoretical calculations on the effects of local high electric fields at interface atomic/molecular layers

• Project/Area Number: 15H03561
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Thin film/Surface and interfacial physical properties
• Research Institution: The University of Tokyo
• Principal Investigator: WATANABE Satoshi 東京大学, 大学院工学系研究科(工学部), 教授 (00292772)
• Co-Investigator(Kenkyū-buntansha): 南谷 英美 東京大学, 大学院工学系研究科(工学部), 講師 (00457003) ; 安藤 康伸 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員 (00715039)
• Research Collaborator: KASAMATSU Shusuke ; TOTSUKA Hideomi
• Project Period (FY): 2015-04-01 – 2019-03-31
• Project Status: Completed (Fiscal Year 2018)
• Budget Amount: ¥16,510,000 (Direct Cost: ¥12,700,000、Indirect Cost: ¥3,810,000); Fiscal Year 2018: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000); Fiscal Year 2017: ¥6,110,000 (Direct Cost: ¥4,700,000、Indirect Cost: ¥1,410,000); Fiscal Year 2016: ¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000); Fiscal Year 2015: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
• Keywords: 電界効果 / 界面原子・分子層 / ナノスケール物性 / 電子状態計算 / 密度汎関数法 / 表面・界面物性 / 計算物理 / ナノ材料

Outline of Final Research Achievements

Changes of behaviors of electrons and atoms due to applied electric fields in the interface regions within the thickness of several atomic/molecular layers and atomic layers like bilayer graphene have been examined using several reliable computational methods. Various findings have been obtained such as the followings: charge density change in an organic molecular layer due to electric fields may be significant only in a part of the molecule; negative dielectric constant may emerge in a metal-ferroelectrics-paraelectrics-metal heterostructure; the region where significant ion distribution change due to electric fields is seen is within the thickness of nanometer scale; how the energy gap changes with electric fields.

Academic Significance and Societal Importance of the Research Achievements

コンピュータ中の不揮発メモリ等の情報素子、二次電池等のエネルギー変換素子等、多くの素子において電圧の印加が動作の鍵を握っている。これは、微視的には電圧印加で発生する電場によって異種材料界面等のナノメートルスケールの領域での原子や電子の振舞いがどのように変化するかという問題に帰着する。この点を明らかにするのは従来難しかった。本研究では信頼性の高い計算法を駆使してこの問題に取り組み、金属基板上の有機分子、二層グラフェン、金属－誘電体－金属積層構造等における原子や電子の振舞いの電場による変化について様々な新たな知見を得ることができた。この点で学術的・社会的意義が大きい。

Research Products

• [Int'l Joint Research] Donostia International Physics Center(スペイン)
• [Int'l Joint Research] ソウル国立大学(韓国)
• [Journal Article] Negative dielectric constant of water confined in nanosheets (2019)
  • Author(s): Akira Sugahara, Yasunobu Ando, Satoshi Kajiyama, Koji Yazawa, Kazuma Gotoh, Minoru Otani, Masashi Okubo & Atsuo Yamada
  • Journal Title: Nature Communications Volume: 10 Issue: 1 Pages: 850-850
  • DOI: 10.1038/s41467-019-08789-8
  • Peer Reviewed / Open Access
• [Journal Article] CO-tip manipulation using repulsive interactions (2018)
  • Author(s): Nana K M Nazriq, E Minamitani, and T K Yamada
  • Journal Title: Nanotechnology Volume: 29 Issue: 49 Pages: 495701-495701
  • DOI: 10.1088/1361-6528/aae0df
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Inelastic electron tunneling spectroscopy by STM of phonons at solid surfaces and interfaces (2018)
  • Author(s): E. Minamitani, N. Takagi, R. Arafune, T. Frederiksen, T. Komeda, H. Ueba, S. Watanabe
  • Journal Title: Prog. Surf. Sci. Volume: 93 Issue: 4 Pages: 131-145
  • DOI: 10.1016/j.progsurf.2018.09.002
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] 固体表面を舞台とした電子フォノン相互作用の研究 (2018)
  • Author(s): 南谷英美
  • Journal Title: 固体物理 Volume: 53 Pages: 609-618
  • Peer Reviewed
• [Journal Article] Germanene and stanene on two-dimensional substrates: Dirac cone and Z2 invariant (2017)
  • Author(s): Z. Ni, E. Minamitani, Y. Ando, S. Watanabe
  • Journal Title: Phys. Rev. B Volume: 96 Issue: 7 Pages: 075427-075427
  • DOI: 10.1103/physrevb.96.075427
  • Peer Reviewed
• [Journal Article] Visualizing Type-II Weyl Points in Tungsten Ditelluride by Quasiparticle Interference (2017)
  • Author(s): C.-L. Lin, R. Arafune, R.-Y. Liu, M. Yoshimura, B. Feng, K. Kawahara, Z. Ni, E. Minamitani, S. Watanabe, Y. Shi, M. Kawai, T.-C. Chiang, I. Matsuda, N. Takagi
  • Journal Title: Acs nano Volume: 11 Issue: 11 Pages: 11459-11465
  • DOI: 10.1021/acsnano.7b06179
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Scanning tunneling spectroscopy of superconductivity on surfaces of LiTi2O4(111) thin films (2017)
  • Author(s): Yoshinori Okada, Yasunobu Ando, Ryota Shimizu, Emi Minamitani, Susumu Shiraki, Satoshi Watanabe, and Taro Hitosugi
  • Journal Title: Nature Communications Volume: ８ Issue: 1 Pages: 15975-15975
  • DOI: 10.1038/ncomms15975
  • Peer Reviewed / Open Access
• [Journal Article] Surface structure of novel semimetal WTe2 (2017)
  • Author(s): K. Kawahara, Z. Ni, R. Arafune, T. Shirasawa, C.-L. Lin, E. Minamitani, S. Watanabe, M. Kawai, N. Takagi
  • Journal Title: Applied Physics Express Volume: 10 Issue: 4 Pages: 0457021-4
  • DOI: 10.7567/apex.10.045702
  • NAID: 210000135826
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Electric field response in bilayer graphene: Ab initio investigation (2016)
  • Author(s): Y. Mori, E. Minamitani, Y. Ando, S. Kasamatsu and S. Watanabe
  • Journal Title: Applied Physics Express Volume: 9 Issue: 11 Pages: 1151041-3
  • DOI: 10.7567/apex.9.115104
  • NAID: 210000138106
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] DFT calculations on atom-specific electronic properties of G/SiC (0001) (2016)
  • Author(s): M Kajihara, T Suzuki, SMF Shahed, T Komeda, E Minamitani, S Watanabe
  • Journal Title: Surface Science Volume: 647 Pages: 39-44
  • DOI: 10.1016/j.susc.2015.12.004
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] First-principles study of metalinsulator control by ion adsorption on Ti2C MXene dioxide monolayers (2016)
  • Author(s): Y. Ando, and S. Watanabe
  • Journal Title: Appl. Phys. Express Volume: 6 Issue: 1 Pages: 015001-4
  • DOI: 10.7567/apex.9.015001
  • NAID: 210000137756
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Electron confinement in graphene nanoislands with free-electron-like energy dispersion (2016)
  • Author(s): Hyo Won Kim, Seiji Takemoto, Emi Minamitani, Tomonari Okada, Takeshi Takami, Kenta Motobayashi, Michael Trenary, Maki Kawai, Nobuhiko Kobayashi, and Yousoo Kim
  • Journal Title: J. Phys. Chem. C Volume: 120 Issue: 1 Pages: 345-349
  • DOI: 10.1021/acs.jpcc.5b10040
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Emergence of Negative Capacitance in Multidomain Ferroelectric-Paraelectric Nanocapacitors at Finite Bias (2016)
  • Author(s): S. Kasamatsu, S. Watanabe, C. S. Hwang, and S. Han
  • Journal Title: Advanced Materials Volume: 28 Issue: 2 Pages: 335-340
  • DOI: 10.1002/adma.201502916
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] Electronic Structure of Quasi-free-standing Germanene on Monolayer MX (M=Ga, In; X=S, Se, Te) (2015)
  • Author(s): Z. Ni, E. Minamitani, Y. Ando, and S. Watanabe
  • Journal Title: Phys. Chem. Chem. Phys. Volume: 17 Issue: 29 Pages: 19039-19044
  • DOI: 10.1039/c5cp02428e
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] First-principles calculation of charged capacitors under open-circuit conditions using the orbital-separation approach (2015)
  • Author(s): S. Kasamatsu, S. Han, and S. Watanabe
  • Journal Title: Physical Review B Volume: 92 Issue: 11 Pages: 115124-115124
  • DOI: 10.1103/physrevb.92.115124
  • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
• [Presentation] フォノン物性や電場中の原子ダイナミクスの解析に向けたニューラルネットワークポテンシャルの構築 (2019)
  • Author(s): 小倉正義，守屋孝紀, Wenwen Li, 清水康司, 南谷英美, 渡邉 聡
  • Organizer: 第66回応用物理学会春季学術講演会
• [Presentation] 電子相関とスピン軌道相互作用が織りなす多様な吸着分子磁性 (2019)
  • Author(s): 南谷英美
  • Organizer: 日本物理学会 第74回年次大会
  • Invited
• [Presentation] 非弾性分光で探る表面界面の素励起：理論的側面を中心に (2019)
  • Author(s): 南谷英美
  • Organizer: 第17回SPring-8ユーザー協同体顕微ナノ材料科学研究会
  • Invited
• [Presentation] 水の「負の誘電率」による電気二重層の容量増加機構について (2019)
  • Author(s): 安藤 康伸, 菅原 哲, 梶山 智司, 大谷 実, 大久保 將史, 山田 淳夫
  • Organizer: 2019 年電気化学会第 86 回大会
• [Presentation] 第一原理計算に基づく界面構造・物性解析に関するいくつかの話題 (2019)
  • Author(s): 渡邉聡
  • Organizer: 新世代研究所 2018年度第2回界面ナノ科学研究会
  • Invited
• [Presentation] ニューラルネットワークを用いた 電場印加固体中のイオン移動挙動解析 (2018)
  • Author(s): 守屋孝紀
  • Organizer: 大阪電通大エレクトロニクス基礎研究所ワークショップ 「界面・ナノ構造・結晶成長への機械学習の応用と実践」
• [Presentation] Neural network potential to study atom dynamics (2018)
  • Author(s): W. Li, Y. Ando, T. Moriya, M. Ogura, K. Shimizu, E. Minamitani, and S. Watanabe
  • Organizer: ACCMS-TM 2018 on “Multiscale Modelling of Materials for Sustainable Development”
  • Int'l Joint Research / Invited
• [Presentation] LAUE-RISM 法による mica-水界面のシミュレーション解析 (2018)
  • Author(s): 安藤 康伸, 奥村 雅 彦
  • Organizer: 2018 年日本表面真空学会学術講演会
• [Presentation] LAUE-RISM 法による mica 上の電気二重層シミュレーション解析 (2018)
  • Author(s): 安藤 康伸, 奥村 雅 彦
  • Organizer: 日本地球化学会第 65 回年会
• [Presentation] 鉄系超伝導体LiFeAsにおける欠陥の第一原理計算 (2018)
  • Author(s): 樽岡 裕司, 南谷 英美, 渡邉 聡
  • Organizer: 日本物理学会 2018年秋季大会
• [Presentation] 遷移金属ダイカルコゲナイド上の吸着原子磁性に対する歪効果の第一原理解析 (2018)
  • Author(s): 北口智啓，南谷英美，渡邉聡
  • Organizer: 2018年日本表面真空学会学術講演会
• [Presentation] 二次元トポロジカル絶縁体の欠陥物性に関する理論計算 (2018)
  • Author(s): 原聡一郎，南谷英美，渡邉聡
  • Organizer: 2018年日本表面真空学会学術講演会
• [Presentation] 原子移動やフォノン挙動の解析への機械学習ポテンシャルの応用 (2018)
  • Author(s): 渡邉聡
  • Organizer: 応用物理学会 薄膜・表面分科会 基礎講座：データサイエンスを活用した固体材料・表面研究の最前線
  • Invited
• [Presentation] Study of Atom Dynamics in Solids Using Neural Network Interatomic Potentials (2018)
  • Author(s): W. Li, Y. Ando, T. Moriya, M. Ogura, K. Shimizu, E. Minamitani, and S. Watanabe
  • Organizer: 14th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures (ACSIN-14)
  • Int'l Joint Research
• [Presentation] Perpendicular magnetic anisotropy enhancement of an Fe(001) surface by Co-phthalocyanine molecule (2018)
  • Author(s): Emi Minamitani, Shinji Miwa, Yoshio Miura
  • Organizer: 14th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures (ACSIN-14)
  • Int'l Joint Research
• [Presentation] Atom Dynamics in Solids Studied by Machine-Learning Techniques (2018)
  • Author(s): S. Watanabe, W. Li, Y. Ando, T. Moriya, M. Ogura, K. Shimizu, and E. Minamitani
  • Organizer: 21st Asian Workshop on First-Principles Electronic Structure Calculations
  • Int'l Joint Research / Invited
• [Presentation] Construction of Neural Network Potential to Study Ion Migration under Applied Voltages (2018)
  • Author(s): T. Moriya, W. Li, K. Shimizu, E. Minamitani, S. Watanabe
  • Organizer: MRS 2018 Fall Meeting
  • Int'l Joint Research
• [Presentation] 第一原理計算によるLi3PO4/Au(111)でのLiイオン分布と電場の影響 (2018)
  • Author(s): 清水 康司，Wei Liu, 渡邉 聡
  • Organizer: 第65回応用物理学会 春季学術講演会
• [Presentation] 物質データ解析の高度化に向けた機械学習応用研究の動向 (2018)
  • Author(s): 安藤康伸
  • Organizer: 理研 分野横断ワークショップ
  • Invited
• [Presentation] Atomistic Simulations for Understanding Microscopic Mechanism of Atomic Switches (2017)
  • Author(s): S. Watanabe, B. Xiao, W. Li
  • Organizer: International Symposium on Atomic Switch: Invention, Practical Use and Future Prospects
  • Place of Presentation: オークラフロンティアホテルつくば（茨城県つくば市）
  • Year and Date: 2017-03-28
  • Int'l Joint Research / Invited
• [Presentation] 二層グラフェンの電子物性の理論計算 (2017)
  • Author(s): 森雄太郎, 島田直治, 南谷英美, 安藤康伸, 笠松秀輔, 渡邉聡
  • Organizer: 日本物理学会 第72回年次大会
  • Place of Presentation: 大阪大学豊中キャンパス（大阪府豊中市）
  • Year and Date: 2017-03-17
• [Presentation] Atomistic Simulations on Electrical Properties at Nanoscale toward the Realization of Novel Information and Energy Devices (2017)
  • Author(s): S. Watanabe
  • Organizer: International Symposium on Advanced Functional Materials and Computational Materials 2017
  • Place of Presentation: Shenzhen Campus, Tsinghua University (Shenzhen, China)
  • Year and Date: 2017-01-08
  • Int'l Joint Research / Invited
• [Presentation] Germanene and stanene on 2D substrates: Dirac-cone and Z2 invariant (2017)
  • Author(s): Zeyuan Ni
  • Organizer: 8th International Symposium on Surface Science
  • Int'l Joint Research
• [Presentation] Germanene and stanene on 2D substrates: Dirac-cone and Z2 invariant (2017)
  • Author(s): Zeyuan Ni
  • Organizer: 5th Ito International Research Conference, "Forefront of Molecular Dynamics at Surfaces and Interfaces: From a single molecule to catalytic reaction"
  • Int'l Joint Research
• [Presentation] First principles study of Li vacancy and interstitial formation at the interfaces of γ-Li3PO4/metal stacked system (2017)
  • Author(s): Koji Shimizu, Wei Liu, Satoshi Watanabe
  • Organizer: 21st International Conference on Solid State Ionics
  • Int'l Joint Research
• [Presentation] Atomistic Simulations for Understanding Microscopic Mechanism of Amorphous TaOx-based Resistive Switching Systems (2017)
  • Author(s): Satoshi Watanabe
  • Organizer: 21st International Conference on Solid State Ionics
  • Int'l Joint Research / Invited
• [Presentation] First-Principles Study of Li Defect Formation and Interfacial Structure of γ-Li3PO4/Metal Stacked System (2017)
  • Author(s): Koji Shimizu, Wei Liu, and Satoshi Watanabe
  • Organizer: The 8th International Symposium on Surface Science
  • Int'l Joint Research
• [Presentation] Dependence of electrode voltages of Ni-Li system on atomic composition and structure: a density functional theory study (2017)
  • Author(s): Wei Liu, Koji Shimizu, Wenwen Li, Emi Minamitani, Yasunobu Ando, and Satoshi Watanabe
  • Organizer: The 8th International Symposium on Surface Science
  • Int'l Joint Research
• [Presentation] Study of atomic diffusion in amorphous structures using neural network potentials (2017)
  • Author(s): Wenwen Li, Yasunobu Ando, Emi Minamitani1 and Satoshi Watanabe
  • Organizer: Car-Parrinello Molecular Dynamics Workshop 2017
  • Int'l Joint Research
• [Presentation] Theoretical Analysis on Li Ion Behavior near Li3PO4/Metal Interfaces and Its Response to Applied Voltages (2017)
  • Author(s): Satoshi Watanabe, Wei Liu, and Koji Shimizu
  • Organizer: The 12th General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization
  • Int'l Joint Research / Invited
• [Presentation] Recent Progress of Material Research with informatics: high-throughput simulation and machine-learning modeling (2017)
  • Author(s): Ando, Yasunobu
  • Organizer: NT17 Satellite symposium CCTN17
  • Int'l Joint Research / Invited
• [Presentation] γ-Li3PO4/金属界面におけるLiイオン欠陥生成に関する第一原理計算 (2017)
  • Author(s): 清水康司、Wei Liu、渡邉聡
  • Organizer: 2017年真空・表面科学合同講演会
• [Presentation] γ-Li3PO4/金属界面近傍におけるLiイオン分布の解析 (2017)
  • Author(s): 清水 康司，Wei Liu，笠松秀輔, 渡邉 聡
  • Organizer: 第78回応用物理学会 秋季学術講演会
• [Presentation] Li3PO4/Au(111)界面近傍におけるLiイオン分布と電場の影響 (2017)
  • Author(s): 清水康司, Wei Liu, 渡邉聡
  • Organizer: 日本物理学会2017年秋季大会
• [Presentation] 電圧印加下におけるニューラルネットワーク法ポテンシャルの 作成に向けた第一原理計算 (2017)
  • Author(s): 守屋 孝紀, 李 文文, 清水 康司, 南谷 英美, 渡邉 聡
  • Organizer: 日本物理学会2017年秋季大会
• [Presentation] 計算・計測データ解析のための機械学習技術の応用研究 (2017)
  • Author(s): 安藤康伸
  • Organizer: NIMS第１１５回先端計測オープンセミナー
  • Invited
• [Presentation] 高次元データの自動・高速処理による物質科学研究の進展 (2017)
  • Author(s): 安藤康伸
  • Organizer: 放射光学会若手有志研究会「マテリアルズインフォマティクスと分光」
  • Invited
• [Presentation] 機械学習によるスペクトルデータと状態遷移のデータ駆動モデリング (2017)
  • Author(s): 安藤康伸
  • Organizer: 真空・表面科学合同講演会
  • Invited
• [Presentation] 物質情報処理の高度化のための機械学習応用研究の動向 (2017)
  • Author(s): 安藤康伸
  • Organizer: 産業技術総合研究所 人工知能研究センター 第１５回AIセミナー
  • Invited
• [Presentation] Germanene and stanene on 2D substrates: Dirac-cone and Z2 invariant (2016)
  • Author(s): Z. Ni, E. Minamitani, Y. Ando and S. Watanabe
  • Organizer: 2016年 真空・表面科学合同講演会
  • Place of Presentation: 名古屋国際会議場（愛知県名古屋市）
  • Year and Date: 2016-11-29
• [Presentation] Ab initio study on the electric field response in bilayer graphene (2016)
  • Author(s): Y. Mori, E. Minamitani, Y. Ando, S. Kasamatsu, S. Watanabe
  • Organizer: 表面界面スペクトロスコピー2016
  • Place of Presentation: 秋保温泉岩沼屋（宮城県仙台市）
  • Year and Date: 2016-11-25
• [Presentation] 有機半導体分子の誘電特性に関する第一原理計算 (2016)
  • Author(s): 守屋友敬、南谷英美、渡邉聡
  • Organizer: π造形第3回若手会
  • Place of Presentation: ゆのくに天祥（石川県加賀市）
  • Year and Date: 2016-11-11
• [Presentation] スピンクロスオーバー分子の電界応答に関する第一原理計算 (2016)
  • Author(s): 石原拓海、南谷英美、渡邉聡
  • Organizer: π造形第3回若手会
  • Place of Presentation: ゆのくに天祥（石川県加賀市）
  • Year and Date: 2016-11-11
• [Presentation] Ab Initio Investigation of the Response of Bilayer Graphene to Electric Field and Carrier Doping (2016)
  • Author(s): Y. Mori, E. Minamitani, Y. Ando, S. Kasamatsu, S. Watanabe
  • Organizer: The 19th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: National Chiao Tung University (Hsinchu, Taiwan)
  • Year and Date: 2016-11-01
  • Int'l Joint Research
• [Presentation] Ionic And Electronic Conductivity Calculations of 100 Perovskite Oxides for SOFC Cathode Materials (2016)
  • Author(s): J. Hwang, Y. Ando, S. Watanabe
  • Organizer: The 19th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: National Chiao Tung University (Hsinchu, Taiwan)
  • Year and Date: 2016-11-01
  • Int'l Joint Research
• [Presentation] Ab Initio Calculation of Electric Field Effects in Organic Molecular Layers (2016)
  • Author(s): T. Moriya, E. Minamitani, S. Watanabe
  • Organizer: The 19th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: National Chiao Tung University (Hsinchu, Taiwan)
  • Year and Date: 2016-11-01
  • Int'l Joint Research
• [Presentation] Germanene and Stanene on 2D Substrates: Dirac-Cone and Z2 Invariant (2016)
  • Author(s): Z. Ni, E. Minamitani, Y. Ando, S. Watanabe
  • Organizer: The 19th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: National Chiao Tung University (Hsinchu, Taiwan)
  • Year and Date: 2016-11-01
  • Int'l Joint Research
• [Presentation] MXene化合物Ti2CO2の電子状態の第一原理解析：層数およびNaイオン吸着による電子状態変化 (2016)
  • Author(s): 北野秀介, 安藤康伸, 南谷英美, 渡邉聡
  • Organizer: 日本物理学会 2016年秋季大会
  • Place of Presentation: 金沢大学（石川県金沢市）
  • Year and Date: 2016-09-13
• [Presentation] Theoretical Search for Suitable Substrates of Germanene and Stanene: Towards the Dirac-cone and Practical Application (2016)
  • Author(s): Z. Ni, E. Minamitani, Y. Ando, S. Watanabe
  • Organizer: Gordon Research Conferences "Two Dimensional Electronics Beyond Graphene"
  • Place of Presentation: Mount Holyoke College (South Hadley, MA, U.S.A.)
  • Year and Date: 2016-06-05
  • Int'l Joint Research
• [Presentation] MXene 酸化物 Ti2CO2 の原子吸着による金属化に関する第一原理計算 (2016)
  • Author(s): 安藤 康伸, 渡邉 聡
  • Organizer: 第71回日本物理学会年次大会
  • Place of Presentation: 宮城県、東北学院大学
  • Year and Date: 2016-03-19
• [Presentation] 強誘電体薄膜のドメインダイナミクスと負のキャパシタンスの 第一原理計算 (2016)
  • Author(s): 笠松 秀輔、渡邉 聡、Seungwu Han、Cheol Seong Hwang
  • Organizer: 第63回応用物理学会春季学術講演会
  • Place of Presentation: 東京都、東京工業大学大岡山キャンパス
  • Year and Date: 2016-03-19
• [Presentation] 新規情報デバイス開発に向けたナノ構造の電気的特性の理論計算：ナノカーボン材料を中心に (2016)
  • Author(s): 渡邉 聡
  • Organizer: 東京理科大学総合研究院ナノカーボン研究部ワークショップ 2015
  • Place of Presentation: 東京都、東京理科大学神楽坂キャンパス
  • Year and Date: 2016-01-13
  • Invited
• [Presentation] Germanene and stanene on 2D substrates: Dirac-cone and Z2 invariant (2016)
  • Author(s): Z. Ni, E. Minamitani, Y. Ando and S. Watanabe
  • Organizer: 2016-CNT25 (International Conference on Carbon Nanotube)
  • Place of Presentation: イイノホール（東京都千代田区）
  • Int'l Joint Research
• [Presentation] 電場印加下の有機半導体分子の量子科学計算 (2015)
  • Author(s): 守屋 友敬, 南谷 英美, 渡邉 聡
  • Organizer: 第35回表面科学会学術講演会
  • Place of Presentation: 茨城県、つくば国際会議場
  • Year and Date: 2015-12-01
• [Presentation] Theoretical study of the surface interaction between germanene and MX (M=Ga, In; X=S, Se, Te): towards germanene with Dirac-cone (2015)
  • Author(s): Zeyuan Ni, 南谷英美, 安藤康伸, 渡邉聡
  • Organizer: 第35 表面科学会学術講演会
  • Place of Presentation: 茨城県、つくば国際会議場
  • Year and Date: 2015-12-01
• [Presentation] MXene 化合物 Ti2CO2 上への原子吸着による金属絶縁体制御に関する理論研究 (2015)
  • Author(s): 安藤 康伸, 渡邉 聡
  • Organizer: 第35回表面科学学術討論会
  • Place of Presentation: 茨城県、つくば国際会議場
  • Year and Date: 2015-12-01
• [Presentation] 原子吸着による MXenes 酸化物 Ti2CO2 の金属化に関する第一原理計算 (2015)
  • Author(s): 安藤 康伸, 渡邉 聡
  • Organizer: 第41回固体イオニクス討論会
  • Place of Presentation: 北海道大学、北海道
  • Year and Date: 2015-11-25
• [Presentation] First-principles Simulation of Capacitance at The Nanoscale: Dead Layer Effect and Negative Capacitance (2015)
  • Author(s): Shusuke Kasamatsu, S. Watanabe, C. S. Hwang, S. Han
  • Organizer: EMN Bangkok Meeting
  • Place of Presentation: Bangkok, Thiland
  • Year and Date: 2015-11-10
  • Int'l Joint Research / Invited
• [Presentation] The Negative Capacitance of Multidomain Ferroelectric Nano-Capacitors Simulated Using the Orbital-Separation Approach (2015)
  • Author(s): Shusuke Kasamatsu,Satoshi Watanabe, Seungwu Han,and Cheol Seong Hwang
  • Organizer: 18th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: 千葉県、東京大学物性研究所
  • Year and Date: 2015-11-09
  • Int'l Joint Research / Invited
• [Presentation] First-Principles Study of Electric Field Effects in Organic Semiconductor Crystal (2015)
  • Author(s): Tomotaka Moriya, Emi Minamitani, Satoshi Watanabe
  • Organizer: 18th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: 千葉県、東京大学物性研究所
  • Year and Date: 2015-11-09
  • Int'l Joint Research
• [Presentation] Study of Cu Diffusion in Amorphous Ta2O5 Using a Neural Network Potential (2015)
  • Author(s): Wenwen Li, Yasunobu Ando, Satoshi Watanabe
  • Organizer: 18th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: 千葉県、東京大学物性研究所
  • Year and Date: 2015-11-09
  • Int'l Joint Research
• [Presentation] Theoretical study of the surface interaction between germanene and MX (M=Ga, In; X=S, Se, Te): towards germanene with Dirac-cone (2015)
  • Author(s): Zeyuan Ni, Emi Minamitani, Yasunobu Ando and Satoshi Watanabe
  • Organizer: 18th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: 千葉県、東京大学物性研究所
  • Year and Date: 2015-11-09
  • Int'l Joint Research
• [Presentation] Orbital-Separation Approach for Simulation of Nanosized Capacitors Under Bias Voltage (2015)
  • Author(s): Shusuke Kasamatsu, Satoshi Watanabe, Seungwu Han , Cheol Seong Hwang
  • Organizer: Psi-k 2015 Conference
  • Place of Presentation: San Sebastian, Spain
  • Year and Date: 2015-09-06
  • Int'l Joint Research
• [Presentation] Electronic structure of quasi-free-standing germanene on monolayer MX (M=Ga, In; X=S, Se, Te): density functional calculations (2015)
  • Author(s): Zeyuan Ni, Emi Minamitani, Yasunobu Ando, Satoshi Watanabe
  • Organizer: 16th International Conference on the Science and Application of Carbon Nanotubes
  • Place of Presentation: 愛知県、名古屋大学
  • Year and Date: 2015-06-27
  • Int'l Joint Research
• [Presentation] Theoretical analysis of the quantum capacitance of charged bilayer graphene with applied electric field (2015)
  • Author(s): Yutaro Mori, Emi Minamitani, Yasunobu Ando, Shuusuke Kasamatsu, Kaoru Kanayama, Kosuke Nagashio, Satoshi Watanabe
  • Organizer: 16th International Conference on the Science and Application of Carbon Nanotubes
  • Place of Presentation: 愛知県、名古屋大学
  • Year and Date: 2015-06-27
  • Int'l Joint Research
• [Presentation] First-Principles Study on Electric and Dielectric Properties of Metal-Oxide Heterostructures in Nanoscale Devices (2015)
  • Author(s): Satoshi Watanabe, Xiao Bo, and Shusuke Kasamatsu
  • Organizer: 8th Conference of the Asian Consortium on Computational Materials Science
  • Place of Presentation: Taipei, Taiwan
  • Year and Date: 2015-06-17
  • Int'l Joint Research / Invited