Faculty Profiles - TANAKA TOMONORI

写真a

TANAKA TOMONORI

Organization

School of Materials and Chemical Technology Specially Appointed Assistant Professor

Homepage

https://tomonori-tanaka.github.io/

External link

Research Interests

First-principles calculations
Phonon properties
Permanent magnet
Finite-temperature magnetism
電子状態理論
相平衡

Research Areas

Nanotechnology/Materials / Metallic material properties
Natural Science / Magnetism, superconductivity and strongly correlated systems
Nanotechnology/Materials / Applied physical properties
Nanotechnology/Materials / Nanostructural physics

Education

Tokyo Institute of Technology School of Materials and Chemical Technology Department of Materials Science and Engineering

2017.10 - 2020.9

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Country： Japan

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Tokyo Institute of Technology Department of Materials Science and Engineering

2015.4 - 2017.9

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Country： Japan

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Nagoya Institute of Technology Faculty of Engineering Department of Environmental and Materials Engineering

2013.4 - 2015.3

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Country： Japan

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Miyakonojo National College of Technology Chemical Science and Engineering

2008.4 - 2013.3

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Country： Japan

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Research History

Institute of Science Tokyo Department of Materials Science and Engineering Specially Appointed Assistant Professor

2026.4

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Country：Japan

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Institute of Science Tokyo Department of Materials Science and Engineering Postdoctoral researcher

2024.10 - 2026.3

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Country：Japan

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Tokyo Institute of Technology Department of Materials Science and Engineering Postdoctoral researcher

2023.4 - 2024.9

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Country：Japan

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National Institute of Advanced Industrial Science and Technology Research Center for Computational Design of Advanced Functional Materials Postdoctoral researcher

2021.2 - 2023.3

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Country：Japan

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Tokyo Institute of Technology Department of Materials Science and Engineering Postdoctoral researcher

2020.10 - 2021.2

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Country：Japan

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Professional Memberships

The Japan Institute of Metals and Materials

2024.7

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American Physical Society

2018.2

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The Physical Society of Japan

2015.12

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Papers

Magnetic reconstruction of the altermagnet α-MnTe(0001) surface driven by ligand holes

Tomonori Tanaka, Yoshihiro Gohda

arXiv 2026.8

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Authorship：Lead author Language：English

DOI： 10.48550/arXiv.2608.12878

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General spin models from noncollinear spin density functional theory and spin-cluster expansion Reviewed

Tomonori Tanaka, Yoshihiro Gohda

Physical Review Research 8 ( 2 ) 023300 2026.6

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Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：American Physical Society (APS)

We present a data-efficient framework for constructing general classical spin Hamiltonians by combining the spin-cluster expansion (SCE) with fully self-consistent noncollinear spin density functional theory (DFT). The key idea is to fit the SCE model to magnetic torques rather than to total energies. Because torques are site-resolved vectors, each spin configuration provides many informative regression targets, improving conditioning and substantially reducing the number of required DFT calculations, especially for large supercells. Applied to the B20-type chiral magnets Mn 1 − x Fe x Ge and Fe 1 − y Co y Ge , the resulting SCE models determine full pairwise exchange tensors—including isotropic exchange, symmetric anisotropic exchange, and the Dzyaloshinskii-Moriya interaction—and predict the helical spin period via a micromagnetic mapping. The composition trends and the divergence of the period at the chirality sign-change point are well reproduced, in agreement with experiment. Moreover, the systematic nature of SCE enables controlled assessment of interaction order: As the training spin configurations become more disordered, the lowest-order model loses torque accuracy, whereas including higher-order interactions restores predictive power. These advances enable near-DFT-accurate spin models for finite-temperature magnetism and complex spin textures at modest computational cost, providing an extensible route to quantitative first-principles parametrization and predictive materials design.

DOI： 10.1103/qqlf-d531

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Other Link： http://harvest.aps.org/v2/journals/articles/10.1103/qqlf-d531/fulltext
First-Principles Exploration of Nd–Fe Magnetic Compounds Assisted by Transfer Learning and Genetic Algorithm Reviewed

Sayaka Ito, Insung Seo, Shimpei Tanaka, Mitsuru Endo, Yukio Tsutsui, Tomonori Tanaka, Yoshihiro Gohda

Journal of the Physical Society of Japan 95 ( 5 ) 053701 2026.5

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Language：English Publishing type：Research paper (scientific journal) Publisher：Physical Society of Japan

DOI： 10.7566/jpsj.95.053701

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Physically Interpretable Force Constants Based on Spherical Tensor Expansion: Efficient Parameter Reduction for Low-Symmetry Systems Reviewed

Daigo Ito, Kota Hashimoto, Tomonori Tanaka, Yoshihiro Gohda

Journal of the Physical Society of Japan 95 ( 5 ) 053601 2026.5

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Language：English Publishing type：Research paper (scientific journal) Publisher：Physical Society of Japan

DOI： 10.7566/jpsj.95.053601

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Efficient first-principles approach to Gibbs free energy with thermal expansion Reviewed

Kota Hashimoto, Tomonori Tanaka, Yoshihiro Gohda

Physical Review B 111 ( 22 ) 224309 2025.6

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Language：English Publishing type：Research paper (scientific journal) Publisher：American Physical Society (APS)

We propose a method to evaluate the Gibbs free energy from constant-volume first-principles phonon calculations. The volume integral of the pressure is performed by determining the volume and the bulk modulus in equilibrium at finite temperatures, where the pressure and its volume derivative are evaluated utilizing first-principles calculations of the Grüneisen parameter without varying the volume. We validate our method for fcc Al by comparing it with the conventional quasiharmonic approximation. Furthermore, we integrate our method with self-consistent phonon theory and apply it to calculations for bcc Ti, hcp Ti, and tetragonal ZrO2. We demonstrate the accuracy and computational efficiency of our method by comparing results with those obtained from directly volume-varied self-consistent phonon calculations. In all cases, our method accurately evaluates the free energy change caused by thermal expansion using only constant-volume phonon calculations.

DOI： 10.1103/6qsr-xzgb

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Other Link： http://harvest.aps.org/v2/journals/articles/10.1103/6qsr-xzgb/fulltext
Impact of electron–spin coupling on exchange coupling parameters: a nonperturbative approach

Tomonori Tanaka, Yoshihiro Gohda

arXiv 2410.11256 2024.10

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Authorship：Lead author Language：English Publishing type：Research paper (scientific journal)

DOI： 10.48550/arXiv.2410.11256

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Clarification of origin of positive excess volume of Pd–Fe binary alloys by using first-principles calculations and HAXPES Reviewed

Manabu Watanabe, Yasumasa Takagi, Tomonori Tanaka, Yoshihiro Gohda, Masayoshi Adachi, Masahito Uchikoshi, Tetsuya Nakamura, Masaki Takata, Hiroyuki Fukuyama

Acta Materialia 267 ( 1 ) 119718 - 119718 2024.4

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Language：English Publishing type：Research paper (scientific journal) Publisher：Elsevier BV

DOI： 10.1016/j.actamat.2024.119718

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Prediction of the Curie temperature considering the dependence of the phonon free energy on magnetic states Reviewed

Tomonori Tanaka, Yoshihiro Gohda

npj Computational Materials 6 ( 1 ) 184 2020.12

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Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：Springer Science and Business Media {LLC}

<jats:title>Abstract</jats:title><jats:p>Prediction of the Curie temperature is of significant importance for the design of ferromagnetic materials. One of the most widely used methods to estimate the Curie temperature from first principles relies on a spin Hamiltonian, for example, the Heisenberg Hamiltonian, and exchange coupling parameters obtained by first-principles calculations at zero temperature. Even though there have been attempts to include the effects of magnetism on phonons, the influence of magnetism-dependent phonons on magnetism has been disregarded in the theoretical estimation of the Curie temperature. Here, we propose a first-principles thermodynamic approach to minimise the total free energy considering both the influences of magnetism on phonons and the feedback effect from phonons to magnetism. By applying our scheme to body-centered cubic Fe, we find a significant reduction of the Curie temperature due to the feedback effect. This result indicates the importance of the feedback effect for a quantitative description of finite-temperature magnetism. In addition, we point out that the reduction in the theoretical Curie temperature arises in a wide range of ferromagnetic materials that exhibit phonon softening due to magnetic disordering.</jats:p>

DOI： 10.1038/s41524-020-00458-5

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First-Principles Study of Magnetism-Dependent Phonons Governed by Exchange Ligand Field Reviewed

Tomonori Tanaka, Yoshihiro Gohda

Journal of the Physical Society of Japan 89 ( 9 ) 093705 - 093705 2020.9

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Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：Physical Society of Japan

DOI： 10.7566/JPSJ.89.093705

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First-principles prediction of one-dimensional giant Rashba splittings in Bi-adsorbed In atomic chains Reviewed

Tomonori Tanaka, Yoshihiro Gohda

Physical Review B 98 ( 24 ) 241409(R) 2018.12

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Authorship：Lead author Language：English Publishing type：Research paper (scientific journal) Publisher：American Physical Society (APS)

DOI： 10.1103/physrevb.98.241409

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Other Link： http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.98.241409/fulltext

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Presentations

Magesty.jl: スピンクラスター展開法に基づく一般化スピンモデル計算パッケージ

田中友規, 合田義弘

物性研究所スパコン共同利用研究会「計算物質科学の今と未来」 2026.4

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Event date： 2026.4

Language：Japanese Presentation type：Poster presentation

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データ駆動型磁石材料探索に向けた汎用スピンモデル構築手法

田中友規, 合田義弘

日本金属学会 2026年春季講演 2026.3

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Event date： 2026.3

Language：Japanese Presentation type：Oral presentation (general)

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第一原理自由エネルギー評価に関する技術要素

合田義弘, 田中友規, 橋本宏太

⼀般社団法⼈合⾦状態図研究会第6回研究会 2025.12

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Event date： 2025.12

Language：Japanese

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Toward Quantitative and General Spin Models: Efficient Implementation of the Spin-Cluster Expansion Method

Tomonori Tanaka, Yoshihiro Gohda

Materials Research Meeting 2025 2025.12

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Event date： 2025.12

Language：English Presentation type：Oral presentation (general)

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Electron-phonon couplings of titanium-group metals from first principles

Kota Hashimoto, Tomonori Tanaka, Yoshihiro Gohda

Materials Research Meeting 2025 2025.12

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Event date： 2025.12

Language：English Presentation type：Poster presentation

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Estimation of bcc-hcp Structural Phase Transition Temperatures from First Principles

Kota Hashimoto, Tomonori Tanaka, Yoshihiro Gohda

The 26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26) 2025.10

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Event date： 2025.10

Language：English Presentation type：Poster presentation

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Spin-Cluster Expansion and its Application to Evaluating the Dzyaloshinskii-Moriya Interaction

Tomonori Tanaka

The 26th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-26) 2025.10

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Event date： 2025.10

Language：English Presentation type：Poster presentation

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効率的スピンクラスター展開法の実装による第一原理スピンモデル構築

田中友規, 合田義弘

物性研究所ソフトウェア開発・高度化プロジェクト研究会〜計算物質科学の発展を支えるオープンソースソフトウェアの開発と普及 2025.10

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Event date： 2025.10

Language：Japanese Presentation type：Poster presentation

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スピンクラスター展開法に基づく定量的スピンモデルの第一原理的導出

田中友規, 合田義弘

日本金属学会 2025年秋期講演大会 2025.9

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Event date： 2025.9

Language：Japanese Presentation type：Oral presentation (general)

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Efficient implementation of spin-cluster expansion for quantitative spin model construction

Tomonori Tanaka, Yoshihiro Gohda

Psi-k 2025 2025.8

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Event date： 2025.8

Language：English Presentation type：Poster presentation

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Construction of magnetic models from non-perturbative calculations

Tomonori Tanaka, Yoshihiro Gohda

IcAUMS 2025 2025.4

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Event date： 2025.4

Language：English Presentation type：Oral presentation (general)

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First-principles calculation of interatomic magnetic couplings using the spin-cluster expansion

Tomonori Tanaka, Yoshihiro Gohda

2025.3

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Event date： 2025.3

Language：Japanese

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First-principles approach to efficient evaluation of Gibbs free energy with thermal expansion

Kota Hashimoto, Tomonori Tanaka, Yoshihiro Gohda

Joint March Meeting and April Meeting: Global Physics Summit 2025 2025.3

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Event date： 2025.3

Language：English Presentation type：Oral presentation (general)

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First-principles calculations of electron-phonon couplings in Ti

Kota Hashimoto, Tomonori Tanaka, Yoshihiro Gohda

2025.3

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Event date： 2025.3

Language：Japanese Presentation type：Oral presentation (general)

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第一原理計算による高精度な原子論的スピンモデルの構築

田中友規, 合田義弘

第5回材料機能特性のアーキテクチャー研究会 2024.12

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Event date： 2024.12

Language：Japanese Presentation type：Oral presentation (general)

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Efficient evaluation of Gibbs free energy incorporating thermal expansion

Kota Hashimoto, Tomonori Tanaka, Yoshihiro Gohda

2024.9

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Event date： 2024.9

Language：Japanese Presentation type：Oral presentation (general)

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Non-Perturbative Calculations of Interatomic Magnetic Coupling for High-Quality Database of Magnetic Materials

Tanaka Tomonori, Gohda Yoshihiro

2024.9

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Event date： 2024.9

Language：Japanese Presentation type：Symposium, workshop panel (public)

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Non-perturbative calculation of exchange coupling constants by Non-collinear density functional theory

Tomonori Tanaka, Yoshihiro Gohda

2024.3

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Event date： 2024.3

Language：Japanese Presentation type：Oral presentation (general)

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Magnetism-dependent phonons and its effect on magnetic phase transition from first principles

Tomonori Tanaka, Yoshihiro Gohda

APS March Meeting 2021.3

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Event date： 2021.3

Language：English Presentation type：Oral presentation (general)

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Effect of magnetism-dependent phonons on equilibrium magnetic states from first principles

Tomonori Tanaka, Yoshihiro Gohda

76th Annual Meeting, The Physical Society of Japan 2021.3

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Event date： 2021.3

Language：Japanese Presentation type：Oral presentation (general)

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磁気状態に依存するフォノンが磁性に及ぼす熱力学的フィードバック効果とその影響

田中友規, 合田義弘

計算物質科学人材育成コンソーシアム（PCoMS）シンポジウム＆計算物質科学スーパーコンピュータ共用事業報告会 2020 2021.2

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Event date： 2021.2

Language：Japanese Presentation type：Symposium, workshop panel (public)

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The shift of the Curie temperature due to the magnetic order dependence of the phonon free energy

Tomonori Tanaka, Yoshihiro Gohda

75th Annual Meeting, The Physical Society of Japan 2020.3

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Event date： 2020.3

Language：Japanese Presentation type：Oral presentation (general)

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The shift of the Curie temperature in bcc-Fe by phonon softening: first-principles phonon and Monte Carlo calculations

Tomonori Tanaka, Yoshihiro Gohda

APS March Meeting 2020.3

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Event date： 2020.3

Language：English Presentation type：Oral presentation (general)

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The shift of the Curie temperature due to the temperature dependence of phonon frequencies

Tomonori Tanaka

2020.2

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Event date： 2020.2

Language：Japanese Presentation type：Poster presentation

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Correlation between phonons and magnetism Invited

Tomonori Tanaka

Workshop on High Performance Permanent Magnets and Magnetic Materials Post-K Computer Priority Issue 7 Sub-Issue D 2020.1

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Event date： 2020.1

Language：Japanese Presentation type：Oral presentation (invited, special)

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磁気モーメントの熱揺らぎを考慮したフォノン自由エネルギーの計算

田中友規, 合田義弘

日本金属学会 2019年秋期（第165回）大会 2019.9

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Event date： 2019.9

Language：Japanese Presentation type：Oral presentation (general)

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New spin filtering mechanism through atomic chains without magnetic field: first-principles study

Tomonori Tanaka, Yoshihiro Gohda

APS March Meeting 2019.3

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Event date： 2019.3

Language：English Presentation type：Oral presentation (general)

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First-principles calculations of a new 1D Rashba system: Bi-adsorbed In atomic chains

Tomonori Tanaka

28th annual meeting of MRS-J 2018.12

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Event date： 2018.12

Language：Japanese Presentation type：Oral presentation (general)

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Bi原子吸着In原子鎖における新奇1次元Rashba効果の第一原理的研究

田中友規, 合田義弘

日本物理学会 2018年秋季大会 2018.9

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Event date： 2018.9

Language：Japanese Presentation type：Oral presentation (general)

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第一原理計算による一次元 Rashba 効果を示す新たな表面系の探索

田中友規, 合田義弘

物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」 2018.4

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Event date： 2018.4

Language：Japanese Presentation type：Poster presentation

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First-Principles Prediction of Giant Rashba Splitting in Bismuth-adsorbed Atomic Nanowires

Tomonori Tanaka, Yoshihiro Gohda

APS March Meeting 2018 2018.3

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Event date： 2018.3

Language：English Presentation type：Oral presentation (general)

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In/Si(111)-4×1表面上のBi原子吸着に関する第一原理計算

田中友規, 合田義弘

日本物理学会 2017年秋季大会 2017.9

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Event date： 2017.9

Language：Japanese Presentation type：Oral presentation (general)

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MnBi表面上ナノ構造の第一原理計算

田中友規, 小林祥希, 合田義弘

日本物理学会第71回年次大会 2016.3

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Event date： 2016.3

Language：Japanese Presentation type：Poster presentation

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Works

Magesty.jl: A Julia package for the construction of spin-cluster expansion models

Tomonori Tanaka

2026

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Work type：Software Location：Github

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SpinClusterMC.jl

Tomonori Tanaka

2026.3

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Work type：Software Location：Github

This is a post-process package of Magensty.jl, carrying out Monte Carlo simulation from spin-cluster model.

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Awards

ポスター賞

2026.4 東京大学物性研究所スーパーコンピュータ共同利用研究会「計算物質科学の今と未来」 Magesty.jl: スピンクラスター展開法に基づく一般化スピンモデル計算パッケージ

田中友規, 合田義弘

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Distinguished Paper Award for Young Scientist

2024.12 日本金属学会機能材料特性のアーキテクチャー研究会第一原理計算による高精度な原子論的スピンモデルの構築

田中友規, 合田義弘

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