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Researcher Information

last modified:2024/07/16

Professor ISHII Fumiyuki

Mail Laboratory Website
Laboratory Website

Faculty, Affiliation

Nanomaterials Research Institute Nanomaterials Research Institute, Theoretical and Computational Science Group

College and School Educational Field

Division of Mathematical and Physical Science, Graduate School of Natural Science and Technology
Division of Mathematical and Physical Sciences, Graduate School of Natural Science and Technology
Course in Computational Science, School of Mathematics and Physics, College of Science and Engineering

Laboratory

Theoretical and Computational Science Group (Computational Condensed Matter Physics Laboratory)

Academic Background

【Academic background(Doctoral/Master's Degree)】
Hiroshima University Doctor Graduate School, Division of Natural Science 200203 Completed
Hiroshima University Master Graduate School, Division of Natural Science 199903 Completed
【Academic background(Bachelor's Degree)】
Hiroshima University 199703
【Degree】
Doctor of Science

Career

Japan Advanced Institute of Science and Technology Collaborative course Visiting Professor(2022/04-)
Nanomaterials Research Institute, Kanazawa University Professor(2022/01-)
Nanomaterials Research Institute, Kanazawa University Associate Professor(2018/08-2021/12)
RIKEN Center for Emergent Matter Science, First-Principles Materials Science Research Team Visiting scientist(2018/11-2023/03)
The institute for solid state physics, the university of Tokyo Visiting associate professor(2018/04-2019/03)
Kanazawa University Institute of Science and Engineering, Faculty of Mathematics and Physics(2011/12-2018/07)
Jülich Research Center, Institute of Solid State Research(IFF)(2008/07-2009/03)
Kanazawa University Institute of Science and Engineering, Faculty of Mathematics and Physics(2008/04-2011/11)
Kanazawa University Graduate School of Natural Science and Technology(2007/04-2008/03)
Kanazawa University Graduate School of Natural Science and Technology(2006/04-2007/03)
of ERATO-SSS/JST, AIST, Postdoctral fellow(2004/04-2006/03)
Japan Society for the Promotion of Science JSPS Research Fellow PD at Hiroshima University(2002/04-2004/03)

Year & Month of Birth

Academic Society

The Physical Society of Japan
The Physical Society of Japan
The Physical Society of Japan
The Japan Society of Applied Physics
The Japan Institute of Metals and Materials
The Molecular Simulation Society of Japan

Award

Specialities

Nanostructural physics、Condensed matter physics I、Condensed matter physics II

Speciality Keywords

Computational Science, Condensed Matter Theory, Materials Informatics, Computational Materials Science, Development and Release of First-Principles Band Calculation Programs, Machine Learning, Artificial Intelligence (AI)

Research Themes

Theoretical physics, computational science, and data science research on energy-creating and energy-saving materials.

Based on thermo-statistical and quantum mechanics, we clarify the behavior of electrons in magnetic, dielectric, and semiconductor materials, propose new physical mechanisms of the photoelectric and thermoelectric effects that lead to energy creation, and design new materials with high efficiency (theoretical design). We also study interfaces between different materials, which will lead to higher-performance power devices as energy-saving materials, as well as study in the field of spintronics, which is important for new electronic devices where the spin of electrons is important. We also study proton-conducting materials, which are expected to be used in next-generation fuel cells. In addition, data science research is conducted to predict new physical laws and high-performance materials from machine learning using published literature data, experimental data, and computational data.

Books

  •  P. Gruenbergほか27名 Spintronics -From GMR to Quantum Information, 40th IFF Spring School, Lecture Notes Forschungszentrum, Juelich 16 2009/02

Papers

  •  First-principles LCPAO approach for insulators under finite electric fields with forces Naoya Yamaguchi,Fumiyuki Ishii Computer Physics Communications 280 108487 2022/08
  •  First-principles study of anomalous hall effect and anomalous Nernst effect in Fe2Si Takahiro Tominaga,Naoya Yamaguchi,Hikaru Sawahata,Fumiyuki Ishii Japanese Journal of Applied Physics 62 SD 2022/12/19
  •  Iron-based binary ferromagnets for transverse thermoelectric conversion Akito Sakai, Susumu Minami, Takashi Koretsune, Taishi Chen, Tomoya Higo, Yangming Wang, Takuya Nomoto, Motoaki Hirayama, Shinji Miwa, Daisuke Nishio-Hamane, Fumiyuki Ishii, Ryotaro Arita & Satoru Nakatsuji Nature 581 53 2020/04/28
  •  First-principles calculation of anomalous Hall and Nernst conductivity by local Berry phase Hikaru Sawahata,Naoya Yamaguchi,Susumu Minami,Fumiyuki Ishii Physical Review B 107 2 2023/01/05 
  •  Persistent spin helix on a diamond surface Hana Pratiwi Kadarisman, Naoya Yamaguchi, Fumiyuki Ishii Applied Physics Express 16 023001 2023/02/23 

show all

  •  Anomalous transport due to Weyl fermions in the chiral antiferromagnets Mn3X, X = Sn, Ge Taishi Chen,Takahiro Tomita,Susumu Minami,Mingxuan Fu,Takashi Koretsune,Motoharu Kitatani,Ikhlas Muhammad,Daisuke Nishio-Hamane,Rieko Ishii,Fumiyuki Ishii,Ryotaro Arita,Satoru Nakatsuji Nature Communications 12 1 2021/12 
  •  First-principles study on thermoelectric properties of half-Heusler compounds CoMSb(M=Sc, Ti, V, Cr, and Mn) Susumu Minami, Fumiyuki Ishii, Yo Pierre Mizuta, Mineo Saito Applied Physics Letters 113 032403 2018/07/17 
  •  Implementation of Generalized Bloch Theorem Using Linear Combination of Pseudo-Atomic Orbitals Teguh Budi Prayitno, Fumiyuki Ishii Journal of the Physical Society of Japan 87 114709 2018/10/16 
  •  First-principles study of electric-field-induced topological phase transition in one-bilayer Bi(111) Hikaru Sawahata, Naoya Yamaguchi, Hiroki Kotaka, Fumiyuki Ishii Japanese Journal of Applied Physics 57 030309 2018/02/13
  •  Defect-induced large spin-orbit splitting in monolayer PtSe2 Moh. Adhib Ulil Absor, Iman Santoso, Harsojo, and Kamsul Abraham, Fumiyuki Ishii, Mineo Saito Physical Review B 96 2017/09/18 
  •  Anisotropic thermoelectric effect on phosphorene and bismuthene: first-principles calculations based on nonequilibrium Green's function theory Yuto Tanaka, Mineo Saito, Fumiyuki Ishii Japanese Journal of Applied Physics 57 125201 2018/10/24 
  •   Large Anomalous Nernst Coefficient in a Doped Skyrmion Crystal Chern Insulator Yo Pierre Mizuta, Hikaru Sawahata, Fumiyuki Ishii  Physical Review B 98 205125 2018/11/15 
  •  Strain-induced large spin splitting and persistent spin helix at LaAlO3/SrTiO3 interface, Naoya Yamaguchi, Fumiyuki Ishii Applied Physics Express 10 123003 2017/11/08
  •  Large anomalous Nernst effect in a skyrmion crystal Yo Pierre Mizuta, Fumiyuki Ishii Scientific Reports 6 28076  2016/06/16 
  •  Electric Field Dependence of Topological Edge States in One-Bilayer Bi(111): A First-Principles Study Hikaru Sawahata, Naoya Yamaguchi, Hiroki Kotaka, Fumiyuki Ishii e-Journal of Surface Science and Nanotechnology 16 427 2018/11/24 
  •  First-principles design of the spinel iridate Ir2O4 for high-temperature quantum spin ice Shigeki Onoda, Fumiyuki Ishii  Physical Review Letters 122 067201 2019/02/12 
  •  Clear variation of spin splitting by changing electron distribution at non-magnetic metal/Bi2O3 interfaces Hanshen Tsai, Shutaro Karube, Kouta Kondou, Naoya Yamaguchi, Fumiyuki Ishii & Yoshichika Otani  Scientific Reports 8 5564 2018/04/03
  •  Photoinduced Rashba Spin-to-Charge Conversion via an Interfacial Unoccupied State J. Puebla, F. Auvray, N. Yamaguchi, M. Xu, S.Z. Bisri, Y. Iwasa, F. Ishii, and Y. Otani  Physical Review Letters 122 256401 2019/06/24 
  •  Realization of Spin-dependent Functionality by Covering a Metal Surface with a Single Layer of Molecules H. Isshiki, K. Kondou, S. Takizawa, K. Shimose, T. Kawabe, E. Minamitani, N. Yamaguchi, F. Ishii, A. Shiotari, Y. Sugimoto, S. Miwa and Y. Otani Nano Letters 19 7119 2019/08/20
  •  Electric-field-induced Z2 topological phase transition in strained single bilayer Bi(111) Hikaru Sawahata, Naoya Yamaguchi, Fumiyuki Ishii Applied Physics Express 12 075009 2019/06/18 
  •  First-principles Study of Spiral Spin Density Waves in Monolayer MnCl2 Using Generalized Bloch Theorem Teguh Budi Prayitno, Fumiyuki Ishii Journal of the Physical Society of Japan 88 104705 2019/09/20 
  •  First-principles calculation of anomalous muonium in silicon: origin of the negative Fermi contact interaction constant Muhamad Nasruddin Manaf, Susumu Minami, Fumiyuki Ishii, Mineo Saito Japanese Journal of Applied Physics 58 081008 2019/07/29 
  •  Intrinsic persistent spin helix state in two-dimensional group-IV monochalcogenide MX monolayers (M=Sn or Ge and X=S, Se, or Te) M.A.U. Absor and F. Ishii  Physical Review B 100 115104 2019/09/03 
  •  Electronic and Thermoelectric Properties of the Intermetallic Compounds MNiSn (M=Ti, Zr, and Hf) M. Onoue, F. Ishii, T.Oguchi Journal of the Physical Society of Japan 77 2008
  •  Carrier-induced noncollinear magnetism in perovskite manganites by first-principles calculations K. Sawada and F. Ishii Journal of Physics Condensed Matter 21 2009/01
  •  Thermoelectric Power in Transition-Metal Monosilicides A. Sakai, F. Ishii, Y. Onose, Y. Tomioka, S. Yotsuhashi, H. Adachi, N. Nagaosa, and Y. Tokura, Journal of the Physical Society of Japan 76 2007
  •  Edge States of Bi Nanoribbons on Bi Substrates: First-Principles Density Functional Study H. Kotaka, M. Saito, T. Nagao, and S. Yaginuma Japanese Journal of Applied Physics 51 025201 2012/01
  •  Phase Control of Graphene Nanoribbon by Carrier Doping: Appearance of Noncollinear Magnetism K. Sawada, F. Ishii, M. Saito, S. Okada, T. Kawai Nano Letters 9 1 269-272 2009/01
  •  First-principles study of spontaneous polarization and water dipole moment in ferroelectric ice XI F. Ishii, K. Terada, S. Miura Molecular Simulation 38 未定 369-372 2012/05
  •  First-principles study of Rashba effect in the (LaAlO3)2/(SrTiO3)2 Nishida, Miho; Ishii, Fumiyuki; Kotaka, Hiroki; Saito, Mineo Molecular Simulation 41 923 2014/12 
  •  Band-Gap Tuning in Magnetic Graphene Nanoribbons K. Sawada, F. Ishii, M. Saito Applied Physics Express 1 064004 2008/01
  •  Magnetism in Graphene Nanoribbons on Ni(111): First-principles density functional study K. Sawada, F. Ishii, M. Saito PHYSICAL REVIEW B 82 245426 2010/12
  •  Magnetism in Dehydrogenated Armchair Graphene Nanoribbon K. Sawada, F. Ishii, M. Saito JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN 80 044712  2011/04
  •  Relativistic Effect on the Bistability of Bi {012} Nanofims H. Kotaka, F. Ishii, Mineo Saito, Keisuke Sawada, Yuki Uramoto, Tadaaki Nagao, Shin Yaginuma e-Journal of Surface Science and Nanotechnology 7 2009
  •  Covalent ferroelectricity in hydrogen-bonded organic molecular systems F. Ishii, N. Nagaosa, Y. Tokura, and K. Terakura PHYSICAL REVIEW B 2006
  •  Rashba Effect on the Structure of the Bi One-Bilayer Film: Fully Relativistic First-Principles Calculation H. Kotaka, M. Saito JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REV 52 035204 2013/02
  •  Ferroelectricity near room temperature in co-crystals of nonpolar organic molecules S Horiuchi, F. Ishii, R. Kumai, Y. Okimoto, H. Tachibana, N. Nagaosa, and Y. Tokura Nature Materials 4 2005
  •  Two-Staged Magnetoresistance Driven by the Ising-Like Spin Sublattice in SrCo6O11 S. Ishiwata, I. Terasaki, F. Ishii, N. Nagaosa, H. Mukuda, Y. Kitaoka, T. Saito, and M. Takano PHYSICAL REVIEW LETTERS 98 2007
  •  Statistical analysis of properties of non-fullerene acceptors for organic photovoltaics Naoya Yamaguchi,Hiroaki Sano,Hikaru Sawahata,Masahiro Nakano,Tetsuya Taima,Fumiyuki Ishii,Makoto Karakawa Japanese Journal of Applied Physics 61 3 030905 2022/03/01 
  •  Highly persistent spin textures with giant tunable spin splitting in the two-dimensional germanium monochalcogenides M. A. U. Absor, Y. Faishol, M. Anshory, I. Santoso, S. Sholihun, H. Sabarman, and F. Ishii J. Phys.: Condens. Matter 33 305501 2021/06/01 
  •  Seebeck-induced anomalous Nernst effect in van der Waals MnBi2Te4 layers Yume Morishima,Naoya Yamaguchi,Hikaru Sawahata,Fumiyuki Ishii Applied Physics Express 16 4 043003 2023/04/05 
  •  First-principles study of anomalous Nernst effect in Cr-doped Bi2Se3 Rifky Syariati,Vierta Saraswati,Hikaru Sawahata,Naoya Yamaguchi,Fumiyuki Ishii Japanese Journal of Applied Physics 2023/09/28 
  •  Structural and physical properties of proton-conducting polyacrylic acid/alginic acid/1,2,4-Triazole composite membranes Ryota Watanabe,Takuya Kurihara,Yasuhiro Shigeta,Shogo Amemori,Naoya Yamaguchi,Fumiyuki Ishii,Tomonori Ida,Motohiro Mizuno Solid State Ionics 399 116299 2023/10
  •  Prediction of wide-gap topological insulating phase in metastable BiTeI YAOTANG ZHANG,Naoya Yamaguchi,Hikaru Sawahata,Fumiyuki Ishii Applied Physics Express 16 5 053002 2023/04/13 
  •  Thermoelectric Effect in Kagome Lattice Enhanced at Van Hove Singularities Kaiki Shibata,Naoya Yamaguchi,Hikaru Sawahata,Fumiyuki Ishii Journal of the Physical Society of Japan 92 124704 2023/12/15
  •  Solid-state 2H NMR investigation of molecular motion in proton-conducting polyacrylic acid/imidazole composites Motohiro Mizuno,Nanaka Hosoe,Takuya Kurihara,Yasuhiro Shigeta,Shogo Amemori,Naoya Yamaguchi,Fumiyuki Ishii Interactions 245 1 2024/03/05 

Conference Presentations

  • Large Chern number in films of transition metal oxides(conference:International workshop on nano-spin conversion science & quantum spin dynamics (NSCS-QSD))(2016/10/12)
  • First-principles Approach for Skyrmion-driven Thermoelectric Conversion(conference:International workshop on nano-spin conversion science & quantum spin dynamics (NSCS-QSD))(2016/10/12)
  • First-principles calculation of Rashba parameters in surface alloys of bismuth and noble metals(conference:International workshop on nano-spin conversion science & quantum spin dynamics (NSCS-QSD))(2016/10/12)
  • First-principles design of the spinel iridate Ir2O4 for high temperature quantum spin ice(conference:APS March Meeting 2017)(2017/03/13)
  • First-principles study of anomalous Nernst effect in skyrmion crystals(conference:APS March Meeting 2017)(2017/03/13)

show all

  • First-principles Study of Rashba Effect in Bi-based Systems(conference:The 18th International Conference on Crystal Growth and Epitaxy (ICCGE-18))(2016/08/07)
  • First-Principle Study of Carrier-Induced Spin Spiral State by Using Generalized Bloch Theorem(2017/03/17)

Others

  •  Band-Gap Tuning in Magnetic Graphene Nanoribbons K. Sawada, F. Ishii, and M. Saito 1 2008

Arts and Fieldwork

Patent

Theme to the desired joint research

○(i) Computer Simulation (ii) Large Scale Computer Simulation by Super Computer (iii) Computational Material Design (Ferroelectrics, Thermoelectric materials, Semiconductor, Magnet, Carbon materials) (iv) Materials informatics (v) Big Data

Grant-in-Aid for Scientific Research

○「ナノスケールのスピン構造が誘起するトポロジカル熱電変換物質デザイン」(2018-2019) 
○「第一原理手法によるナノスピン変換物質デザイン」(2017-2018) 
○「第一原理手法による異常量子輸送を活用した熱電変換ナノ物質デザイン」(2016-2019) 
○「第一原理手法による界面電場・スピン軌道結合系数の見積とスピン変換物質デザイン」(2015-2016) 
○「第一原理計算による強誘電体ナノ界面の巨大ラシュバ系探索とスピン流の起源解明」(2013-2015) 
○「第一原理手法による遷移金属酸化物人工超格子の大規模計算」(2013-2014) 
○「ナノチューブにおけるアドアトム・不純物の構造および物性に関するシミュレーション」(2010-2011) 
○「第一原理計算によるマルチフェロイクスの電気分極発現メカニズム解明」(2007-2008) 

Competitive research funding,Contribution

Collaborative research,Consignment study

Classes (Bachelors)

○Introduction to Information and Computational Science(2022)
○Computational Science(2022)
○Computational Material Science A(2022)
○Computational Material Science B(2022)
○Nano-Science(2022)
○Nano-Science(2022)
○Computer Experiments 1(2022)
○Computer Experiments 1(2022)
○Computer Experiments 2(2022)
○Computer Experiments 2(2022)
○Selected Topics(2022)
○Introduction to Region-studies(2022)
○Introduction to Information and Computational Science(2021)
○Presentation and Debate(2021)
○Computer Experiments 1(2021)
○Programming Language A(2021)
○Academic Skills(2021)
○Programming Language B(2021)
○GS English Language for Undergraduates I (English for Science and Engineering)(2021)
○GS English Language for Undergraduates II (English for Science and Engineering)(2021)
○Computational Science(2021)
○Computer Experiments 2(2021)
○GS English Language for Undergraduates I (English for Science and Engineering)(2020)
○Programming Language B(2020)
○Programming Language A(2020)
○Computer Experiments 1(2020)
○Computer Experiments 2(2020)
○Research Work in Computational Experimental Science(2020)
○Introduction to Information and Computational Science(2020)
○Computational Science(2020)
○GS English Language for Undergraduates II (English for Science and Engineering)(2020)
○Freshman Seminar I(2020)
○Presentation and Debate (Freshman Seminar II)(2020)
○Computer Experiments 1(2019)
○Freshman Seminar I(2019)
○Introduction to Information and Computational Science(2019)
○Computational Science(2019)
○GS English Language for Undergraduates II (English for Science and Engineering)(2019)
○Research Work in Computational Experimental Science(2019)
○Computer Experiments 2(2019)
○Freshman Seminar I(2019)
○Lecture on Life in Campus and Society(2019)
○Programming Language B(2019)
○Programming Language A(2019)
○GS English Language for Undergraduates I (English for Science and Engineering)(2019)
○Research Work in Computational Experimental Science(2019)
○Computer Experiments 1(2019)
○Presentation and Debate (Freshman Seminar II)(2019)
○Freshman Seminar I(2019)
○Programming Language B(2019)
○Programming Language A(2019)
○Computational Science(2019)
○Introduction to Information and Computational Science(2019)
○Computational Science(2018)
○Programming Language A(2018)
○Introduction to Information and Computational Science(2018)
○Computational Science(2018)
○Physics Experiments 1(2018)
○Research Work in Computational Experimental Science(2018)
○Programming Language B(2018)
○Computational Science(2017)

Classes (Graduate Schools)

○Computational Materials Design(2022)
○Utilization of Scientific instruments B(2022)
○Special Lectures on Computational Science(2022)
○Utilization of Scientific instruments B(2022)
○Computational Solid State Physics(2022)
○Utilization of Scientific instruments B(2022)
○Utilization of Scientific instruments B(2022)
○Computational Materials Design(2021)
○Research Work B(2021)
○Computational Solid State Physics(2021)
○Cooperative Studies with Jaist(2020)
○Scientific Presentation B(2020)
○Computational Materials Design(2020)
○Methodology of Science B(2020)
○Utilization of Scientific instruments B(2020)
○Computational Solid State Physics(2020)
○Research Work B(2020)
○Lectures A for Foreign Students IIa(2020)
○Lectures A for Foreign Students Ib(2020)
○Topics in Computational Science b(2020)
○Topics in Computational Science a(2020)
○Introduction to Mathematical and Physical Sciences IIb(2020)
○Introduction to Mathematical and Physical Sciences IIa(2020)
○Introduction to Mathematical and Physical Sciences Ib(2020)
○Introduction to Mathematical and Physical Sciences Ia(2020)
○Lectures A for Foreign Students IIb(2020)
○Scientific Presentation B(2019)
○Lectures A for Foreign Students Ia(2019)
○Computational Materials Design(2019)
○Utilization of Scientific instruments B(2019)
○Methodology of Science B(2019)
○Research Work B(2019)
○Computational Solid State Physics(2019)
○Lectures A for Foreign Students IIb(2019)
○Lectures A for Foreign Students IIa(2019)
○Lectures A for Foreign Students Ib(2019)
○Research Work B(2018)
○Computational Materials Design(2018)
○Computational Solid State Physics(2018)
○Seminar B(2018)
○Exercise B(2018)
○Computational Materials Design(2017)
○Cooperative Studies 1 with Jaist(2017)
○Seminar B(2017)
○Computational Solid State Physics(2017)
○Exercise B(2017)
○Research Work B(2017)
○Computational Materials Design(2017)
○Exercise B(2016)
○Computational Solid State Physics(2016)
○Research Work B(2016)
○Cooperative Studies 1 with Jaist(2016)
○Computational Materials Design(2016)
○Seminar B(2016)
○Introduction to Mathematical and Physical Sciences B(2012)
○Lectures B for Foreign Students(2012)
○Topics in Computational Science(2012)
○Computational Solid State Physics(2012)
○Computational Materials Design(2012)
○Research Work B(2012)
○Exercise B(2012)
○Seminar B(2012)
○Lectures A for Foreign Students(2012)
○Research Work(2011)
○Research Work(2010)
○Research Work(2009)

International Project

International Students

Lecture themes

Others (Social Activities)

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