Tsumuraya Takao 圓谷貴夫

Researcher Number	00619869
Other IDs	https://orcid.org/0000-0001-9063-9278
Affiliation (Current)	2024: 熊本大学, 先進マグネシウム国際研究センター, 准教授
Affiliation (based on the past Project Information) *help	2022 – 2024: 熊本大学, 先進マグネシウム国際研究センター, 准教授 2017 – 2022: 熊本大学, 大学院先導機構, 助教 2015 – 2016: 国立研究開発法人物質・材料研究機構, ICYS-NAMIKI, ICYS研究員 2014: 独立行政法人理化学研究所, 加藤分子物性研究室, 特別研究員
Review Section/Research Field	Principal Investigator Basic Section 26010:Metallic material properties-related / Condensed matter physics II / Science and Engineering Except Principal Investigator Medium-sized Section 26:Materials engineering and related fields / Basic Section 26040:Structural materials and functional materials-related / Medium-sized Section 13:Condensed matter physics and related fields
Keywords	Principal Investigator 電子状態 / 第一原理計算 / LPSO / マグネシウム合金 / 分子性導体 / 有機導体 / 積層欠陥 / フォノン / 構造材料 / マルテンサイト … More / 格子欠陥 / 溶質元素 / 長周期積層構造 / 化学結合 / 凸包 / 相安定性 / LPSO構造 / 溶質原子 / 表面スラブ構造 / SKPFM / ガルバニック腐食 / 仕事関数 / マルテンサイト変態 / 形状記憶合金 / Convex Hull / 原子空孔 / 計算物理 / 誘電体物性 / 物性理論 / 密度汎関数理論 / Mott絶縁体 / 強誘電体 / ハイブリッド汎関数 / 分子性固体 / 磁性 / 電荷秩序 / 強相関電子系 / 電子構造 / バンド構造 / スピン液体 / 量子スピン液体 / 水素結合 … More Except Principal Investigator 理論計算 / 電子顕微鏡 / 物性実験 / 化学物理 / 構造・機能材料 / 光誘起応答 / 有効モデル化 / スピン転移 / 分子性導体 / 有機導体 / 量子ダイナミクス / 強相関電子系 / 光誘起相転移 / 第一原理計算 / 分子性結晶 / マグネシウム合金 / 高耐食性 / 不燃性 / 高熱伝導 / 高強度 / Mg合金 Less

Creation of innovative active nitrogen control technology by nitrogen dissociation properties of alkali metals
- Principal Investigator
  
  宮岡裕樹
- Project Period (FY)
  2024 – 2028
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 26:Materials engineering and related fields
- Research Institution
  Hiroshima University
Ab-Initio Study on the Origin of the Activity of Non-basal Slips in Magnesium based alloysPrincipal Investigator
- Principal Investigator
  
  圓谷貴夫
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Kumamoto University
トップレベルのマルチ機能を有する革新的構造用マグネシウム合金の開発
- Principal Investigator
  
  河村能人
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 26:Materials engineering and related fields
- Research Institution
  Kumamoto University
Research on nitrogen dissociation mechanism and atom dynamics for Lithium alloys
- Principal Investigator
  
  Miyaoka Hiroki
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26040:Structural materials and functional materials-related
- Research Institution
  Hiroshima University
The microscopic origin of phase stability and role of solute atoms in metal alloys having partial dislocation; A first-principles studyPrincipal Investigator
- Principal Investigator
  
  Tsumuraya Takao
- Project Period (FY)
  2019 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Kumamoto University
Theory of complex molecular systems: effective model and quantum dynamics
- Principal Investigator
  
  Seo Hitoshi
- Project Period (FY)
  2019 – 2022
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 13:Condensed matter physics and related fields
- Research Institution
  Institute of Physical and Chemical Research
First-principles study of various charge ordered states of molecular conductorsPrincipal Investigator
- Principal Investigator
  
  Tsumuraya Takao
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Condensed matter physics II
- Research Institution
  Kumamoto University
  National Institute for Materials Science
分子性固体における磁性・電子状態とミュオン－第一原理計算による研究－Principal Investigator
- Principal Investigator
  
  圓谷貴夫
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  National Institute for Materials Science
  The Institute of Physical and Chemical Research

All 2023 2022 2021 2020 2019 2018 2017 2016 2015 Other

All Journal Article Presentation Other

[Journal Article] Heterospin frustration in a metal-fullerene-bonded semiconductive antiferromagnet2022
- Author(s)
  Shen Yongbing、Cui Mengxing、Takaishi Shinya、Kawasoko Hideyuki、Sugimoto Kunihisa、Tsumuraya Takao、Otsuka Akihiro、Kwon Eunsang、Yoshida Takefumi、Hoshino Norihisa、Kawachi Kazuhiko、Kasama Yasuhiko、Akutagawa Tomoyuki、Fukumura Tomoteru、Yamashita Masahiro
- Journal Title
  
  Nature Communications
  
  Volume: 13 Issue: 1 Pages: 495-495
- DOI
  10.1038/s41467-022-28134-w
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05865, KAKENHI-PROJECT-19H00886, KAKENHI-PROJECT-20K05535, KAKENHI-PROJECT-21K03520, KAKENHI-PROJECT-19K21860, KAKENHI-ORGANIZER-20H05862
[Journal Article] Electronic origin of phase stability in Mg-Zn-Y alloys with a long-period stacking order2022
- Author(s)
  Tsumuraya Takao、Momida Hiroyoshi、Oguchi Tamio
- Journal Title
  
  Applied Physics Express
  
  Volume: 15 Issue: 7 Pages: 075506-075506
- DOI
  10.35848/1882-0786/ac7b68
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K04988, KAKENHI-PROJECT-19K21860
[Journal Article] Large Diamagnetism and Electromagnetic Duality in Two-Dimensional Dirac Electron System2022
- Author(s)
  Fujiyama S.、Maebashi H.、Tajima N.、Tsumuraya T.、Cui H-B.、Ogata M.、Kato R.
- Journal Title
  
  Physical Review Letters
  
  Volume: 128 Issue: 2 Pages: 1-6
- DOI
  10.1103/physrevlett.128.027201
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K03482, KAKENHI-PROJECT-20K03870, KAKENHI-PROJECT-21K03426, KAKENHI-PROJECT-19K21860
[Journal Article] Monomer Mott Insulator (BEDT-TTF)Cu[N(CN)<sub>2</sub>]<sub>2</sub> as a Potential Nodal Line System2022
- Author(s)
  Yoneyama Naoki、Nuryadin Muhammad Khalish、Tsumuraya Takao、Iguchi Satoshi、Takei Takahiro、Kumada Nobuhiro、Nagao Masanori、Tanaka Isao、Sasaki Takahiko
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 91 Issue: 11 Pages: 113704-113704
- DOI
  10.7566/jpsj.91.113704
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-21H05471, KAKENHI-PROJECT-19H01833, KAKENHI-PROJECT-19K21860, KAKENHI-PUBLICLY-22H04459
[Journal Article] First-Principles Study on the Stability and Electronic Structure of the Charge-Ordered Phase in α-(BEDT-TTF)2I32021
- Author(s)
  Tsumuraya Takao、Seo Hitoshi、Miyazaki Tsuyoshi
- Journal Title
  
  Crystals
  
  Volume: 11 Issue: 9 Pages: 1109-1109
- DOI
  10.3390/cryst11091109
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K21860
[Journal Article] Ambient-pressure Dirac electron system in the quasi-two-dimensional molecular conductor α-(BETS)2I32021
- Author(s)
  Kitou Shunsuke、Tsumuraya Takao、Sawahata Hikaru、Ishii Fumiyuki、Hiraki Ko-ichi、Nakamura Toshikazu、Katayama Naoyuki、Sawa Hiroshi
- Journal Title
  
  Physical Review B
  
  Volume: 103 Issue: 3 Pages: 035135-035135
- DOI
  10.1103/physrevb.103.035135
- NAID
  120007163652
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K21860, KAKENHI-PROJECT-19J11697, KAKENHI-PROJECT-20J13011
[Journal Article] Electric and Magnetic Responses of Two-Dimensional Dirac Electrons in Organic Conductor α-(BETS)2I32021
- Author(s)
  Suzumura Yoshikazu、Tsumuraya Takao
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 90 Issue: 12
- DOI
  10.7566/jpsj.90.124707
- NAID
  210000159474
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K21860
[Journal Article] Ab initio derivation and exact-diagonalization analysis of low-energy effective Hamiltonians for β′-X[Pd(dmit)2]2021
- Author(s)
  Kazuyoshi Yoshimi, Takao Tsumuraya, and Takahiro Misawa
- Journal Title
  
  Phys. Rev. Res.
  
  Volume: 3 Issue: 4 Pages: 43224-43224
- DOI
  10.1103/physrevresearch.3.043224
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H06345, KAKENHI-PROJECT-21H01041, KAKENHI-PROJECT-19K21860
[Journal Article] First-principles study of the effective Hamiltonian for Dirac fermions with spin-orbit coupling in two-dimensional molecular conductor α-(BETS)2I32021
- Author(s)
  Tsumuraya Takao、Suzumura Yoshikazu
- Journal Title
  
  The European Physical Journal B
  
  Volume: 94 Issue: 1
- DOI
  10.1140/epjb/s10051-020-00038-y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K21860
[Journal Article] First-principles study of the charge ordered phase in κ-D3(Cat-EDT-TTF/ST)2: Stability of π-electron deuterium coupled ordering in hydrogen-bonded molecular conductors2020
- Author(s)
  Tsumuraya Takao、Seo Hitoshi、Miyazaki Tsuyoshi
- Journal Title
  
  Physical Review B
  
  Volume: 101 Issue: 4
- DOI
  10.1103/physrevb.101.045114
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K21860
[Journal Article] Electronic correlation and geometrical frustration in molecular solids: A systematic ab initio study of β′-X[Pd(dmit)2]22020
- Author(s)
  Misawa Takahiro、Yoshimi Kazuyoshi、Tsumuraya Takao
- Journal Title
  
  Physical Review Research
  
  Volume: 2 Issue: 3 Pages: 32072-32072
- DOI
  10.1103/physrevresearch.2.032072
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K21860, KAKENHI-PROJECT-19K03739, KAKENHI-PROJECT-16H06345
[Journal Article] Single-component conductors based on closed-shell Ni and Pt bis(dithiolene) complexes: metallization under high pressure2020
- Author(s)
  Hachem Hadi、Cui HengBo、Tsumuraya Takao、Kato Reizo、Jeannin Olivier、Fourmigue Marc、Lorcy Dominique
- Journal Title
  
  Journal of Materials Chemistry C
  
  Volume: 8 Issue: 33 Pages: 11581-11592
- DOI
  10.1039/d0tc02868a
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K21860, KAKENHI-PROJECT-16H06346
[Journal Article] Role of Velocity Field and Principal Axis of Tilted Dirac Cones in Effective Hamiltonian of Non-Coplanar Nodal Loop2019
- Author(s)
  Yoshikazu Suzumura, Takao Tsumuraya, Reizo Kato, Hiroyasu Matsuura, and Masao Ogata
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 88 Issue: 12 Pages: 124704-124704
- DOI
  10.7566/jpsj.88.124704
- NAID
  40022096586
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K03482, KAKENHI-PROJECT-19K21860, KAKENHI-PROJECT-16H06346, KAKENHI-PROJECT-18H01162
[Journal Article] Effective Hamiltonian of Topological Nodal Line Semimetal in Single-Component Molecular Conductor [Pd(dddt)2] from First-Principles2018
- Author(s)
  Tsumuraya Takao、Kato Reizo、Suzumura Yoshikazu
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 87 Issue: 11 Pages: 1137011-5
- DOI
  10.7566/jpsj.87.113701
- NAID
  210000134995
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H06346, KAKENHI-PROJECT-16K17756
[Journal Article] Temperature Dependence of Crystal Structures and Band Parameters in Quantum Spin Liquid β′-EtMe3Sb[Pd(dmit)2]2 and Related Materials2018
- Author(s)
  Kohei Ueda, Takao Tsumuraya, and Reizo Kato
- Journal Title
  
  Crystals
  
  Volume: 8(3) Issue: 3 Pages: 138-138
- DOI
  10.3390/cryst8030138
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K17756, KAKENHI-PROJECT-16H06346
[Journal Article] Emergence of the Dirac Electron System in a Single-Component Molecular Conductor under High Pressure2017
- Author(s)
  Reizo Kato, HengBo Cui, Takao Tsumuraya, Tsuyoshi Miyazaki, and Yoshikazu Suzumura
- Journal Title
  
  J. Am. Chem. Soc.
  
  Volume: 139 Issue: 5 Pages: 1770-1773
- DOI
  10.1021/jacs.6b12187
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-16H06346, KAKENHI-PROJECT-15H02108, KAKENHI-PROJECT-26400355, KAKENHI-PROJECT-16K17756, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Fragment Model Study of Molecular Multi-Orbital System X[Pd(dmit)2]22015
- Author(s)
  H. Seo, T. Tsumuraya, M. Tsuchiizu, T. Miyazaki, R. Kato
- Journal Title
  
  J. Phys. Soc. Jpn
  
  Volume: 84 Issue: 4 Pages: 044716-044716
- DOI
  10.7566/jpsj.84.044716
- NAID
  210000133530
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PROJECT-24740232, KAKENHI-PROJECT-25400370, KAKENHI-PUBLICLY-26108720, KAKENHI-PROJECT-26287070, KAKENHI-PROJECT-26400377, KAKENHI-PLANNED-23108002
[Journal Article] First-principles study of hydrogen-bonded molecular conductor kappa-H3(Cat-EDT-TTF/ST)22015
- Author(s)
  T. Tsumuraya, H. Seo, R. Kato, and T. Miyazaki
- Journal Title
  
  Phys. Rev. B
  
  Volume: 92 Issue: 3
- DOI
  10.1103/physrevb.92.035102
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-26400377, KAKENHI-PUBLICLY-26108720, KAKENHI-PROJECT-26287070, KAKENHI-PLANNED-23108002
[Presentation] Electronic Origin of Phase Stability in Mg-Zn-Y alloys with a Long-Period Stacking Order: A First-Principles Study2023
- Author(s)
  Takao Tsumuraya, Hiroyoshi Momida, and Tamio Oguchi
- Organizer
  TMS 2023 Annual Meeting & Exhibition
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] LPSO構造型Mg-Zn-Y合金におけるZn原子の役割：第一原理計算による研究2022
- Author(s)
  圓谷貴夫, 籾田浩義, 小口多美夫
- Organizer
  日本金属学会2022年秋期講演大会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] Mg-Zn-Y系合金における溶質元素効果：第一原理分子動力学法による原子ダイナミクスの解明2022
- Author(s)
  圓谷貴夫、西本宗矢、河村能人
- Organizer
  日本金属学会2022年春期大会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] 第一原理計算による分子性固体系における磁性と電荷秩序に関する研究2022
- Author(s)
  圓谷貴夫
- Organizer
  第61回電子スピンサイエンス学会年会
- Invited
- Data Source
  KAKENHI-PROJECT-19K21860
[Presentation] First-Principles Study on the Origin of Phase Stability in Mg-Zn-Y alloys with a Long-Period Stacking Order2022
- Author(s)
  Takao Tsumuraya
- Organizer
  Korea-Japan Joint Seminar, "Scientific research and technological applications for Mg-based alloys and other light metals in South Korea and Japan
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] First-Principles Study on the Electronic Origin of Phase Stability in Mg-Zn-Y alloys with a Long-Period Stacking Order2022
- Author(s)
  Takao Tsumuraya, Hiroyoshi Momida, and Tamio Oguchi
- Organizer
  The 5th International Symposium on Long-Period Stacking Order Structure and Mille-feuille Structure
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] Mg-Zn-Y系急速凝固合金の組織形成に及ぼす冷却速度の影響2022
- Author(s)
  西本宗矢、圓谷貴夫、山崎倫昭、河村能人
- Organizer
  日本金属学会2022年春期大会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] ３次元トポロジカル絶縁体BiSbTe2Sの表面状態に関する第一原理計算2022
- Author(s)
  圓谷貴夫
- Organizer
  日本物理学会 2022年秋季大会
- Data Source
  KAKENHI-PROJECT-19K21860
[Presentation] LPSO型Mg合金の相安定性の起源と溶融および過冷却液体状態における原子ダイナミクスの解明2022
- Author(s)
  圓谷貴夫
- Organizer
  第一原理計算と機械学習の進歩と調和」研究会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] First-Principles Study on the Stability of Vacancy Formation in a Mg-Zn-Y Alloy with Long-period Stacking Ordered Structure2021
- Author(s)
  Takao Tsumuraya, Hiroyoshi Momida, Tamio Oguchi
- Organizer
  12th International Conference on Magnesium Alloys and their Applications (Mg 2021)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] Fe系γ-εマルテンサイト変態におけるLPSO型構造相の安定性と起源解明2021
- Author(s)
  圓谷貴夫, 渡邊育夢, 澤口孝宏
- Organizer
  日本金属学会　2021年春期講演大会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] 2次元ディラック電子系α-(BETS)2I3に対するスピン軌道相互作用を考慮した第一原理有効Hamiltonianの構築2021
- Author(s)
  圓谷貴夫
- Organizer
  日本物理学会第76回年次大会（2021年）
- Data Source
  KAKENHI-PROJECT-19K21860
[Presentation] First-Principles Study on the Origin of Stability of Long-Period Stacking Order in a Mg-Zn-Y based alloy2021
- Author(s)
  Takao Tsumuraya
- Organizer
  The 3rd NIMS MANA-ICYS Reunion Workshop
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] Fe系γ-εマルテンサイト変態とMg-Zn-Y合金における長周期積層構造の安定性の解明2021
- Author(s)
  圓谷貴夫, 渡邊育夢, 澤口孝宏, 籾田浩義, 小口多美夫
- Organizer
  軽金属学会2021年春期大会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] Stability of π-electron-deuterium coupled ordering in hydrogen-bonded molecular conductors κ-D3(Cat-EDFT-TTF/ST)22020
- Author(s)
  Takao Tsumuraya
- Organizer
  Workshop on Computational Physics and Materials Science; Total Energy and Force Methods 2020
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K21860
[Presentation] α-(BETS)2I3のトポロジカル物性に関する第一原理計算2020
- Author(s)
  圓谷貴夫
- Organizer
  日本物理学会第75回年次大会
- Data Source
  KAKENHI-PROJECT-19K21860
[Presentation] LPSO型Mg-Zn-Y合金における原子空孔と相安定性に関する第一原理研究2020
- Author(s)
  圓谷貴夫, 籾田浩義,小口多美夫
- Organizer
  日本金属学会　2020年春期講演大会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] 擬2次元分子性導体α-(BETS)2I3の常圧下におけるディラックバンド分散とスピン軌道相互作用の効果2020
- Author(s)
  圓谷貴夫
- Organizer
  日本物理学会 2020年秋季大会
- Data Source
  KAKENHI-PROJECT-19K21860
[Presentation] LPSO型Mg-Zn-Y合金における溶質原子空孔の安定性に関する第一原理計算2020
- Author(s)
  圓谷貴夫, 籾田浩義, 小口多美夫
- Organizer
  日本金属学会　2020年秋期講演大会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] 第一原理計算による分子性導体の圧力下電子物性の研究2019
- Author(s)
  圓谷貴夫
- Organizer
  愛媛大学リサーチユニット研究会：機能性固体材料の最前線
- Invited
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] The origin of structural stability and solute clustering in Mg-M-Y (M = Ni, Cu, Co, and Zn) alloys with long-period stacking ordered structure2019
- Author(s)
  Takao Tsumuraya, and Tamio Oguchi
- Organizer
  Materials Research Meeting 2019
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] 第一原理計算によるα-(BEDT-TTF)2I3とα-(BETS)2I3の圧力下における構造と電子状態2019
- Author(s)
  圓谷貴夫, 岸木敬太
- Organizer
  日本物理学会74回年次大会（2019年）
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] First-principles study on the origin of structural stability of Mg-M-Y (M = Ni, Cu, Co, and Zn) alloys with long-period stacking ordered structure2019
- Author(s)
  Takao Tsumuraya, and Tamio Oguchi
- Organizer
  2019 Sustainable Industrial Processing Summit and Exhibition
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] First-principles study on the origin of phase stability of long-period stacking ordered (LPSO) structure in Mg-M-Y (M = Ni, Cu, Co, and Zn) alloys2019
- Author(s)
  Takao Tsumuraya, and Tamio Oguchi
- Organizer
  International Conference of Materials Modeling (ICMM6)
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] 第一原理計算によるLPSO構造を有するMg合金の相安定性の起源解明2019
- Author(s)
  圓谷貴夫, 小口多美夫
- Organizer
  日本金属学会　2019年秋期講演大会
- Data Source
  KAKENHI-PROJECT-19K04988
[Presentation] 分子性導体の圧力下電子物性2019
- Author(s)
  圓谷貴夫
- Organizer
  第7回「強相関電子系理論の最前線」研究会
- Invited
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] Pressure-induced nodal-loop semimetal and topological phase transition in a single-component molecular crystal, [Pd(dddt)2]2018
- Author(s)
  Takao Tsumuraya, Hikaru Sawahata, Fumiyuki Ishii, Hiori Kino, Reizo Kato, and Tsuyoshi Miyazaki
- Organizer
  The 5th International Conference of Asian Union of Magnetics Societies (IcAUMS 2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] 第一原理計算を用いた有機固体の研究：基礎から応用まで2018
- Author(s)
  圓谷貴夫
- Organizer
  有機固体若手の会2018秋の学校
- Invited
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] First-principles study on the structural and electronic properties of molecular charge ordered systems2018
- Author(s)
  Takao Tsumuraya, Hitoshi Seo, Tsuyoshi Miyazaki
- Organizer
  4th International Conference on Functional Materials Science 2018 (ICFMS 2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] ハイブリッド汎関数法による分子性導体の磁性と電子状態2017
- Author(s)
  圓谷貴夫, 妹尾仁嗣, 宮崎剛
- Organizer
  理化学研究所「物質階層の原理を探求する統合的実験研究」第１回春合宿
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] First-principles study of antiferromagnetic insulating states in molecular conductors β’-(BEDT-TTF)2ICl2 and (TMTTF)2X2017
- Author(s)
  Takao Tsumuraya, Hitoshi Seo, Tsuyoshi Miyazaki
- Organizer
  ISCOM2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] 分子性反強磁性体β’-(BEDT-TTF)2ICl2及び(TMTTF)2XF6 (X = P, As, Sb) の磁性と電子状態 -第一原理計算による研究-2017
- Author(s)
  圓谷貴夫, 妹尾仁嗣, 宮崎剛
- Organizer
  東北大学金属材料研究所共同利用・共同研究ワークショップ「多自由度が協奏する分子システムの科学」
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] ハイブリッド汎関数法による擬１次元分子性導体(TMTTF)_2X系の電子状態2017
- Author(s)
  圓谷貴夫, 妹尾仁嗣, 宮崎剛
- Organizer
  日本物理学会　第72回年次大会（2017年）
- Place of Presentation
  大阪大学
- Year and Date
  2017-03-17
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] First-principles study of molecular-based spin liquid materials: X[Pd(dmit)2]2 and H/D3(Cat-EDT-TTF/ST)22016
- Author(s)
  T. Tsumuraya, H. Seo, M. Tsuchiizu, R. Kato, T. Miyazaki
- Organizer
  International USMM & CMSI Workshop
- Place of Presentation
  東京大学　本郷キャンパス
- Year and Date
  2016-01-05
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] 水素結合系κ-(H/D)_3(Cat-EDT-TTF/ST)_2の構造と電子状態　-第一原理計算による研究-2016
- Author(s)
  圓谷貴夫, 妹尾仁嗣, 宮崎剛
- Organizer
  ISSPワークショップ：分子性物質におけるπ電子―水素相関機能物性
- Place of Presentation
  東京大学　物性研究所
- Year and Date
  2016-03-29
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] First-Principles Study of The Electronic Structure in Molecular Conductors with Hybrid Functional2016
- Author(s)
  T. Tsumuraya, H. Seo, T. Miyazaki
- Organizer
  2016 EMN meeting on computation and theory
- Place of Presentation
  アメリカ　ネバタ州
- Year and Date
  2016-10-10
- Invited
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] 分子性スピン液体物質X[Pd(dmit)_2]_2およびH/D_3(Cat-EDT-TTF/ST)_2に対する第一原理計算2016
- Author(s)
  圓谷貴夫
- Organizer
  理研シンポジウム：ミュオン科学応用の最先端
- Place of Presentation
  理化学研究所　和光キャンパス
- Year and Date
  2016-02-16
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] ハイブリッド汎関数法に基づく強相関分子性導体系の電子状態計算2016
- Author(s)
  圓谷貴夫, 妹尾仁嗣, 宮崎剛
- Organizer
  日本物理学会　2016年秋季大会
- Place of Presentation
  金沢大学
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16K17756
[Presentation] 水素結合を含む分子性導体における電荷秩序と誘電性に関する第一原理計算による研究2015
- Author(s)
  圓谷貴夫, 妹尾仁嗣, 加藤礼三, 宮崎剛
- Organizer
  第9回物性科学領域横断研究会凝縮系科学の最前線
- Place of Presentation
  東京大学　本郷キャンパス
- Year and Date
  2015-11-13
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] Electronic and structural properties of hydrogen-bonded molecular conductor kappa-H_3(Cat-EDT-TTF/ST)_22015
- Author(s)
  T. Tsumuraya, H. Seo, R. Kato, T. Miyazaki
- Organizer
  DFT2015
- Place of Presentation
  ハンガリー　デブレッセン市
- Year and Date
  2015-08-31
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] Electronic Structure and Role of Hydrogen Bonding in Molecular Conductors, κ-H_3(Cat-EDT-TTF)_2 and κ-H_3(Cat-EDT-STF)_2
- Author(s)
  Takao Tsumuraya, Hitoshi Seo, Reizo Kato, Tsuyoshi Miyazaki
- Organizer
  Computational Science Workshop 2014
- Place of Presentation
  エポカルつくば（茨城県つくば市）
- Year and Date
  2014-08-20 – 2014-08-22
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] 分子性導体 β'-X[Pd(dmit)_2]_2及びκ-H_3(Cat-EDT-TTF)_2に対する理論的研究
- Author(s)
  圓谷貴夫、妹尾仁嗣、土射津昌久、加藤礼三、宮崎剛
- Organizer
  第8回物性科学領域横断研究会 (領域合同研究会)
- Place of Presentation
  大阪大学豊中キャンパスシグマホール（大阪府豊中市）
- Year and Date
  2014-11-21 – 2014-11-22
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] First-Principles Study of Electronic States of Molecular Conductors
- Author(s)
  Takao Tsumuraya
- Organizer
  1st RIKEN-Sophia Joint Symposium:Recent Progresses on the Muon-Site Estimation
- Place of Presentation
  上智大学（東京都四谷）
- Year and Date
  2014-12-15 – 2014-12-16
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] 三角格子をもつ分子性導体β'-X[Pd(dmit)_2]_2に対する理論的研究
- Author(s)
  圓谷貴夫、妹尾仁嗣、土射津昌久、宮崎剛、加藤礼三
- Organizer
  新学術領域研究第3回領域会議公開シンポジウム
- Place of Presentation
  東北大学WPI棟
- Year and Date
  2014-09-23 – 2014-09-25
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] First-principles study of molecular conductors κ-H3(Cat-EDT-TTF/STF)2 electronic structure and role of hydrogen bonding
- Author(s)
  Takao Tsumuraya, Hitoshi Seo, Reizo Kato, Tsuyoshi Miyazaki
- Organizer
  Gordon Research Conference "Conductivity & Magnetism in Molecular Materials"
- Place of Presentation
  Lewiston, MA, USA
- Year and Date
  2014-08-03 – 2014-08-08
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] ESR Studies of the Molecular Spin Liquid System EtMe_3Sb[Pd(dmit)_2]_2
- Author(s)
  Yugo Ohshima, Takao Tsumuraya, Reizo Kato
- Organizer
  Joint Conference of APES2014, IES and SEST2014
- Place of Presentation
  Todaiji Culture Center, Nara
- Year and Date
  2014-11-12 – 2014-11-16
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108720
[Presentation] Cation Dependence of the Electronic States in Molecular Dimer-Mott Insulators β'-(Cation)[Pd(dmit)2]2
- Author(s)
  Takao Tsumuraya, Hitoshi Seo, Masahisa Tsuchiizu, Reizo Kato, Tsuyoshi Miyazaki
- Organizer
  Computational Science Workshop 2014
- Place of Presentation
  エポカルつくば（茨城県つくば市）
- Year and Date
  2014-08-20 – 2014-08-22
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108720
[]

1. Miyaoka Hiroki (80544882)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. 礒部繁人 (10564370)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
3. Seo Hitoshi (30415054)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
4. 河村能人 (30250814)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 堀田善治 (20173643)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 井上晋一 (30792585)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 安藤新二 (40222781)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 浅野耕太 (30415640)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. MISAWA Takahiro

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
10. 加藤礼三

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
11. 芥川智行

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
12. 松浦弘泰

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. 前橋英明

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
14. 佐々木孝彦

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
15. 宮崎剛

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Tsumuraya Takao 圓谷 貴夫

Research Projects

Research Products

Co-Researchers

Creation of innovative active nitrogen control technology by nitrogen dissociation properties of alkali metals

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Ab-Initio Study on the Origin of the Activity of Non-basal Slips in Magnesium based alloysPrincipal Investigator

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トップレベルのマルチ機能を有する革新的構造用マグネシウム合金の開発

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Research on nitrogen dissociation mechanism and atom dynamics for Lithium alloys

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The microscopic origin of phase stability and role of solute atoms in metal alloys having partial dislocation; A first-principles studyPrincipal Investigator

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Theory of complex molecular systems: effective model and quantum dynamics

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First-principles study of various charge ordered states of molecular conductorsPrincipal Investigator

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分子性固体における磁性・電子状態とミュオン －第一原理計算による研究－Principal Investigator

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[Journal Article] Heterospin frustration in a metal-fullerene-bonded semiconductive antiferromagnet2022

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[Journal Article] Electronic origin of phase stability in Mg-Zn-Y alloys with a long-period stacking order2022

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[Journal Article] Large Diamagnetism and Electromagnetic Duality in Two-Dimensional Dirac Electron System2022

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[Journal Article] Monomer Mott Insulator (BEDT-TTF)Cu[N(CN)<sub>2</sub>]<sub>2</sub> as a Potential Nodal Line System2022

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[Journal Article] First-Principles Study on the Stability and Electronic Structure of the Charge-Ordered Phase in α-(BEDT-TTF)2I32021

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[Journal Article] Ambient-pressure Dirac electron system in the quasi-two-dimensional molecular conductor α-(BETS)2I32021

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Tsumuraya Takao 圓谷貴夫

分子性固体における磁性・電子状態とミュオン－第一原理計算による研究－Principal Investigator