- Top Page
- Profile
last modified：2025/04/06
Assistant Professor YAMAGUCHI, Naoya
Faculty, Affiliation
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
School of Mathematics and Physics, College of Science and Engineering
Laboratory
Academic Background
【Degree】
Doctor of Philosophy in Science
Career
Japan Society for the Promotion of Science Research Fellow (DC1)(2018/04/01-2019/09/30)
Year & Month of Birth
1993/09
Academic Society
The Physical Society of Japan
The Japan Society of Applied Physics
The Molecular Simulation Society of Japan.
The Physical Society of Japan
Award
○Dean's Award(2019/09/26)
Specialities
Nanostructural physics、Computational science
Speciality Keywords
Computational materials science,First-principles calculation,Berry phase,Rashba effect
Research Themes
First-principles study of the electronic structures and physical properties of solids induced by spin-orbit interaction
Development of first-principles methods to apply electric fields based on the density functional theory for nanomaterials
Books
Papers
- First-principles study of Rashba effect in ultra-thin bismuth surface alloys Naoya Yamaguchi,Hiroki Kotaka,Fumiyuki Ishii Journal of Crystal Growth 468 688 2017/06/15
- 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 3 030309 2018/03/01
- First-principles LCPAO approach for insulators under finite electric fields with forces Naoya Yamaguchi,Fumiyuki Ishii Computer Physics Communications 280 108487 2022/11
- 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 2023/04/01 ?
- 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 024404 2023/01/01
- Photoinduced Rashba Spin-to-Charge Conversion via an Interfacial Unoccupied State Jorge Puebla,Florent Auvray,Naoya Yamaguchi,Mingran Xu,Satria Zulkarnaen Bisri,Yoshihiro Iwasa,Fumiyuki Ishii,Yoshichika Otani Physical Review Letters 122 25 2019/06/24
- Clear variation of spin splitting by changing electron distribution at non-magnetic metal/Bi
2 O3 interfaces Hanshen Tsai,Shutaro Karube,Kouta Kondou,Naoya Yamaguchi,Fumiyuki Ishii,Yoshichika Otani Scientific Reports 8 1 2018/12/01 - 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 ?
- Simple model for corrugation in surface alloys based on first-principles calculations Monika Nur,Naoya Yamaguchi,Fumiyuki Ishii Materials 13 19 1 2020/10/01 ?
- 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,Y. Otani Nano Letters 19 10 7119 2019/10/09
- Electric-field-induced Z
2 topological phase transition in strained single bilayer Bi(111) Hikaru Sawahata,Naoya Yamaguchi,Fumiyuki Ishii Applied Physics Express 12 7 075009 2019/07/01 - Strain-induced large spin splitting and persistent spin helix at LaAlO
3 /SrTiO3 interface Naoya Yamaguchi,Fumiyuki Ishii Applied Physics Express 10 12 123003 2017/12/01 - 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 ?
- First-principles study of rashba spin splitting at strained SrTiO
3 (001) Surfaces Naoya Yamaguchi,Fumiyuki Ishii e-Journal of Surface Science and Nanotechnology 16 360 2018/08/04? - Spin splitting with persistent spin textures induced by the line defect in the 1T phase of monolayer transition metal dichalcogenides Moh Adhib Ulil Absor,Iman Santoso,Naoya Yamaguchi,Fumiyuki Ishii Physical Review B 101 15 155410 2020/04/09
- First-principles study of anomalous Hall effect and anomalous Nernst effect in Fe
2 Si Takahiro Tominaga,Naoya Yamaguchi,Hikaru Sawahata,Fumiyuki Ishii Japanese Journal of Applied Physics 62 SD SD1019 2023/05/01 - Persistent spin helix on a diamond surface Hana Pratiwi Kadarisman,Naoya Yamaguchi,Fumiyuki Ishii Applied Physics Express 16 2 023001 2023/02
- 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 12 124704 2023/12/15
- 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
- Effect of poly(acrylic acid) on proton transfer in triazole molecules: a first-principles study Khusnul Yakin,Naoya Yamaguchi,Motohiro Mizuno,Fumiyuki Ishii The Science Reports of Kanazawa University 67 69 2024/09/20 ?
- First-Principles study on proton transfer in triazole molecules Khusnul Yakin,Naoya Yamaguchi,Takahito Nakajima,Motohiro Mizuno,Fumiyuki Ishii Chemical Physics Letters 856 141582 2024/08
- 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 63 1 2023/09/28 ?
- Prediction of wide-gap topological insulating phase in metastable BiTeI Yaotang Zhang,Naoya Yamaguchi,Hikaru Sawahata,Fumiyuki Ishii Applied Physics Express 16 5 053002 2023/05/01 ?
- Dirac Electrons in Graphene Flakes Wardah Amalia,Naoya Yamaguchi,Sefty Yunitasari,Fumiyuki Ishii Journal of the Physical Society of Japan 93 10 2024/10/15
- 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
- Development of electronic structure calculation methods for next-generation energy conversion materials(conference：International Symposium on Computational Science (ISCS) 2024 “Online Mini-symposium”)(2024/07/25)
Others
- 19pPSA-39 First-principles calculation of electric field effect in topological insulator Sawahata H,Yamaguchi N,Ishii F Meeting Abstracts of the Physical Society of Japan 71 0 2542 2016
- First-principles calculations of Rashba coefficents on the surface and interface in oxides Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 71 0 2407 2016
- First-principles calculations of Rashba effect at the interface in bismuth oxide and noble metals Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 72 0 2475 2017
- 18aPS-10 First-principles study of layer polarizations and electronic structures in La(Al, Mn)O_3/SrTiO_3 Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 70 0 2298 2015
- First-principles calculation of Bi(111)/noble metals interface Sugita Megumi,Yamaguchi Naoya,Ishii Humiyuki Meeting Abstracts of the Physical Society of Japan 72 0 2479 2017
- 19pPSA-21 First-principles calculation of the spin-orbit-coupling constant and polarization in a SrTiO_3 thin-film Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 71 0 2525 2016
- First-principles Calculation of Magnetism in Bulk Under an Electric Field Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 74.1 1 3000 2019
- First-principles approach to Rashba states for surfaces and interfaces using Wannier functions Yamaguchi Naoya,Sugita Megumi,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 72.2 2 2122 2017
- First-principles Analysis of the Rashba Effect in Bi/Ag Surface Alloy Systems Using Band Unfolding Yamaguchi Naoya,Lee Chi-Cheng,Ozaki Taisuke,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 73.2 2 1951 2018
- First-principles calculations of the Rashba effect at the Bi/M(M=Cu, Ag, and Au) interface Sugita Megumi,Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 72.2 2 2123 2017
- First-principles calculations of Rashba coefficients at the oxide ferroelectric / metal interface Sugita Megumi,Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 73.2 2 1950 2018
- First-principles study of the large Chern number induced by spin chirality Sawahata Hikaru,Minami S.,Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 74.2 2 2056 2019
- First-principles Analysis of Band Dispersion in Bulk Dielectrics/Semiconductors Under Finite Electric Fields Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 75.1 1 2314 2020
- First-principles Calculation of Spin-orbit Splitting in Dielectric Bulk Under an Electric Field Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 73.2 2 2404 2018
- First-principles calculation of strain and electric field effects on the topological insulator phase in the Bi thin film. Sawahata Hikaru,Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 73.2 2 1953 2018
- First-principles Calculation of the Formation of Surface Alloys on Ag(111)-√3×√3 R30°Surface Nur Monika,Yamaguchi Naoya,Ishii Fumiyuki Meeting Abstracts of the Physical Society of Japan 74.2 2064 2019
Arts and Fieldwork
Patent
Theme to the desired joint research
○Computational simulations of physical properties of materials under electric fields
Grant-in-Aid for Scientific Research
○「電子状態計算における高速ベリー位相計算手法の開発とエネルギー変換材料への応用」(2024-2028)
○「第一原理計算による非周期系バンド分散の記述子の開発とその二次元材料への応用」(2025-2026)
○Grant-in-Aid for Early-Career Scientists「First-principles Calculation of Light-Spin-Charge Conversion Materials」(2020-2023)
○Grant-in-Aid for JSPS Fellows「First-principles Study on Origins of the Giant Rashba Effect at Surfaces/Interfaces 」(2018-2020)
Competitive research funding,Contribution
Collaborative research,Consignment study
Classes (Bachelors)
○Computational Science(2024)
○Introduction to Information and Computational Science(2024)
○Computational Science(2023)
○Introduction to Information and Computational Science(2023)
○Introduction to Data Science(2023)
○Introduction to Information and Computational Science(2022)
○Computational Science(2022)
○Programming Language A(2021)
○Programming Language B(2021)
○Introduction to Information and Computational Science(2021)
○Computational Science(2021)
○Programming Language B(2020)
○Programming Language A(2020)
○Computational Science(2020)
○Introduction to Information and Computational Science(2020)
○Computational Science(2019)
○Programming Language B(2019)
○Introduction to Information and Computational Science(2019)
○Programming Language A(2019)
Classes (Graduate Schools)
○Computational Solid State Physics(2024)
○Computational Solid State Physics(2024)
○Computational Solid State Physics(2023)
○Computational Solid State Physics(2023)
○Computational Solid State Physics(2022)
○Computational Solid State Physics(2022)