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Researcher Information

last modified：2025/07/11

Assistant Professor　YAMAGUCHI, Naoya

Laboratory Website
Laboratory Website

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

  • 　Strain-induced large spin splitting and persistent spin helix at LaAlO3/SrTiO3 interface　Naoya Yamaguchi,Fumiyuki Ishii　Applied Physics Express　10　12　123003　2017/12/01　
  • 　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　
  • 　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　1　2018/12/01　
  • 　First-principles study of rashba spin splitting at strained SrTiO3(001) Surfaces　Naoya Yamaguchi,Fumiyuki Ishii　e-Journal of Surface Science and Nanotechnology　16　360　2018/08/04　
  • 　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　

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  • 　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　
  • 　Persistent spin helix on a diamond surface　Hana Pratiwi Kadarisman,Naoya Yamaguchi,Fumiyuki Ishii　Applied Physics Express　16　2　023001　2023/02
  • 　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　SD1019　2023/05/01
  • 　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　
  • 　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　
  • 　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　
  • 　First-principles LCPAO approach for insulators under finite electric fields with forces　Naoya Yamaguchi,Fumiyuki Ishii　Computer Physics Communications　280　108487　2022/11
  • 　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　
  • 　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　
  • 　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　
  • 　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　
  • 　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　
  • 　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　
  • 　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
  • 　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　
  • 　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
  • 　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　
  • 　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
  • 　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　

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-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 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 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
  • 　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
  • 　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

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  • 　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 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
  • 　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
  • 　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
  • 　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 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 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 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 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 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 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

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 A(2020)
○Programming Language B(2020)
○Introduction to Information and Computational Science(2020)
○Computational Science(2020)
○Computational Science(2019)
○Programming Language A(2019)
○Introduction to Information and Computational Science(2019)
○Programming Language B(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)

International Project

International Students

Lecture themes

Others (Social Activities)

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