Our Team

Research Topics

1. Theoretical calculations of x-ray spectroscopies in strongly correlated electron systems

2. DFT-based study of the metal-insulator transition in strongly correlated valence-skipper PbCrO3 

3. Theoretical study of circular dichroism in resonant inelastic x-ray scattering (RIXS-CD) 

Research Achievements

1. [Preprint]

Theory of circular dichroism in resonant inelastic x-ray scattering

M. Furo, A. Hariki, J. Kuneš
arXiv:2508.04388

2. [Publication]
   Valence, charge transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7
   D. Takegami, T. Okauchi, E. A. Morales, K. Fujinuma, M. Furo, M.Yoshimura, K.-D. Tsuei, G. A. Pan, D. F. Segedin, Q. Song, H. Paik, C. M.Brooks, J. A. Mundy, T. Mizokawa, L. H. Tjeng, B. H. Goodge, and A. Hariki
   Physical Review B 111, 165101 (2025), arXiv

3. [Publication]

Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy
T. Yamaguchi,  M. Furo, Y. Sakai, T. Nishikubo, H. Hojo, M. Azuma, K. Oka, D. Mori, Y. Inaguma, M. Mizumaki, K. Yamamoto, J. Kuneš , T. Mizokawa, and A. Hariki,
Physical Review B 109, 205131 (2024), arXiv

4. [Publication]
   High-Pressure Synthesis of a Novel Quadruple Perovskite Oxide AgCu3Cr4O12
   Yuta Kato, Mizuki Furo, Tatsuya Yamaguchi, Atsushi Hariki and Ikuya Yamada
   Material Transactions (2023)

5. [Presentation (poster)]

Autumn School on Correlated Electrons: Understanding Correlated Materials with DMFT, 22-26 September 2025, Jülich, Germany

Theoretical Study on Circular Dichroism in Resonant Inelastic X-ray Scattering

6. [Presentation (poster)]

JPS 2025 annual meeting, 16-19 September 2025, Hiroshima University, Hiroshima, Japan
Theoretical Study on Circular Dichroism in Resonant Inelastic X-ray Scattering

7. [Presentation (oral)]

Orbital Physics in Correlated Materials: New Challenges and Perspectives, Dresden, Germany, 19-22 August 2025

Circular Dichroism in Resonant Inelastic X-ray Scattering of Antiferromagnets

8. [Presentation (poster)]

Computational Approaches to Quantum Many-Body Systems, Sonic city, Saitama, Japan19-20 October 2023,
DFT+U and DFT+DMFT study on structural and metal-insulator transition in charge-disproportionated perovskite oxide PbCrO3

9. [Presentation (poster)] 

International Conference on Strongly Correlated Electron Systems 2023, Incheon, Korea, 3-7 July 2023
Theoretical Modeling of Valence-skipping Perovskite Oxides PbCrO3 and PbCoO3

10. [Presentation (poster)] 

JPS march meeting, Online, 22-25 March 2023

Valence skipping, internal doping and structural transition in PbCoO3 and PbCrO3 under pressure

11. [Presentation (oral)]  

The 32nd Annual Meeting of MRS-J, Yokohama, Japan, 5-7 December 2022

Valence skipping, internal doping and structural transition in PbCoO3 and PbCrO3 under pressure

Research Topics

1.  X-ray magnetic circular dichroism in altermagnets

2. Theoretical simulation for core-level x-ray spectroscopy of uranium compounds

Research Achievements

1. [Preprint]
   UTe2: a narrow band superconductor
   M. Sundermann, T. Okauchi, N. Ito, D. S. Christovam, A. Marino, D. Takegami, A. Golskovskii, P. F. S. Rosa, J. Kuneš, S. Fujimori, L. H. Tjeng, A. Severing, A. Hariki
   arXiv:2509.07915

2. [Presentation (poster)] 
   The 35th Annual Meeting of MRS-J, 10-12 November 2025, Fukuoka
   Quantifying U covalency and electronic localization in uranium intermetallics using photoelectron spectroscopy and DFT+DMFT

3. [Presentation (poster)]

JPS 2025 annual meeting, 16-19 September 2025, Hiroshima University, Hiroshima, Japan
Quantifying U covalency and electronic localization in uranium intermetallics using photoelectron spectroscopy and DFT+DMFT

4. [Presentation (poster)]
   Kyoto International Workshop on Exotic Superconductors, 11-12 June 2025, Musubiwaza-Kan, Kyoto, Japan
   Quantifying U covalency and electronic localization in uranium intermetallics using XPS and DFT+DMFT

Research Topics

1. X-ray magnetic circular dichroism in antiferromagnets breaking T-symmetry

2. Magnetic circular dichroism in resonant inelastic X-ray scattering (RIXS-MCD) in altermagnets

Research Achievements

1. [Publication]
   Separating Altermagnetic and Ferromagnetic Effects in X-ray Magnetic Dichroism of Rutile NiF2
   A. Hariki, K. Sakurai, T. Okauchi, and J. Kuneš
   npj Quantum Materials 10, 49 (2025), arXiv

2. [Presentation (poster)]

JPS 2025 annual meeting, 16-19 September 2025, Hiroshima University, Hiroshima, Japan
X-ray magnetic circular dichroism route to identify altermagnets and the magnetic structure

3. [Presentation (poster)]

JPS spring meeting, 18-21 March 2024, Online
Magnetic Dichroism in Rutile NiF2: Separating Altermagnetic and Ferromagnetic Effects

Research Topics

1.  Theory of soft x-ray resonant inelastic x-ray scattering for strongly correlated materials

2.  Metal-insulator and transition

Research Achievements

Research Topics

1. Theoretical simulation for core-level x-ray spectroscopy of ruthenium and iridium oxides

2. Theoretical simulation for core-level x-ray spectroscopy of uranium compounds

3. X-ray magnetic circular dichroism in altermagnets

4. Theoretical simulation for core-level x-ray spectroscopy of infinite-layer nickelate superconductor

5. Development of theoretical framework for resonant photoemission spectroscopy in correlated materials

Research Achievements

1. [Award]
   大阪公立大学 学長表彰受賞 （2024年11月3日)

2. [Award]
   日本物理学会春季大会 領域5 学生優秀発表賞（2024年3月) 

3. [Preprint]
   UTe2: a narrow band superconductor
   M. Sundermann, T. Okauchi, N. Ito, D. S. Christovam, A. Marino, D. Takegami, A. Golskovskii, P. F. S. Rosa, J. Kuneš, S. Fujimori, L. H. Tjeng, A. Severing, A. Hariki
   arXiv:2509.07915

4. [Preprint]
   Circular Dichroism in Resonant Inelastic X-ray Scattering: Probing Altermagnetic Domains in MnTe
   D. Takegami, T. Aoyama, T. Okauchi, T. Yamaguchi, S. Tippireddy, S. Agrestini, M. García-Fernández, T. Mizokawa, K. Ohgushi, Ke-Jin Zhou, J. Chaloupka, J. Kuneš, A. Hariki, and H. Suzuki
   arXiv:2502.10809

5. [Publication]
   Separating Altermagnetic and Ferromagnetic Effects in X-ray Magnetic Dichroism of Rutile NiF2
   A. Hariki, K. Sakurai, T. Okauchi, and J. Kuneš
   npj Quantum Materials 10, 49 (2025), arXiv

6. [Publication]
   Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates
   K. Nakagawa, A. Hariki, T. Okauchi, H. Fujiwara, K.-H. Ahn, Y. Murakami, S. Hamamoto, Y. Kanai-Nakata, T. Kadono, A. Higashiya, K. Tamasaku, M. Yabashi, T. Ishikawa, A. Sekiyama, S. Imada, J. Kuneš, K. Takase, A. Yamasaki
   Physical Review B 111, 195114 (2025), arXiv

7. [Publication]
   Valence, charge transfer, and orbital-dependent correlation in bilayer nickelates Nd3Ni2O7
   D. Takegami, T. Okauchi, E. A. Morales, K. Fujinuma, M. Furo, M.Yoshimura, K.-D. Tsuei, G. A. Pan, D. F. Segedin, Q. Song, H. Paik, C. M.Brooks, J. A. Mundy, T. Mizokawa, L. H. Tjeng, B. H. Goodge, and A. Hariki　

Physical Review B 111, 165101 (2025), arXiv

8. [Publication]
   Determination of the Néel vector in rutile altermagnets through x-ray magnetic circular dichroism: the case of MnF2
   A. Hariki, T. Okauchi, Y. Takahashi, and J. Kuneš
   Physical Review B 110, L100402 (2024), arXiv:2405.11833

9. [Publication] 
   Quantifying the U 5f covalence and degree of localization in U intermetallics
   A. Marino, D. S. Christovam, D. Takegami, J. Falke, M. M. F. Carvalho, T. Okauchi, C.-F. Chang, S. G. Altendorf, A. Amorese, M. Sundermann, A. Gloskovskii, H. Gretarsson, B. Keimer, A. V. Andreev, L. Havela, A. Leithe-Jasper, A. Severing, J. Kuneš, L. H. Tjeng, and A. Hariki
   Physical Review Research 6, 033068 (2024), arXiv (chosen as Editor’s Suggestion) 

10. [Presentation (poster)]

Computational Approaches to Quantum Many-Body Systems, 19-20 October 2023, Sonic city, Saitama, Japan
LDA+DMFT approach to core-level x-ray photoemission spectroscopy in correlated materials

11. [Presentation (poster)]

JPS spring meeting, 18-21 March 2024, Online
Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates

12. [Presentation (poster)]

70 years of the Tanabe-Sugano diagrams, 10-12 September 2024, Waseda university, Tokyo, Japan
Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates

Research Topics

1. Metal-insulator and magnetic transition in ACu3Fe4O12 perovskite oxides 

2. DFT + DMFT simulation for strongly correlated electron systems

3. X-ray magnetic cirular dichroism in altermagnets

Research Achievements

1. [Award]
   大阪公立大学 工学研究科 電子物理系専攻 中百舌鳥賞（2024年3月) 

2. [Award]
   大阪公立大学 工学研究科 電子物理系専攻 研究業績優秀賞（2024年3月) 

3. [Preprint]
   Circular Dichroism in Resonant Inelastic X-ray Scattering: Probing Altermagnetic Domains in MnTe
   D. Takegami, T. Aoyama, T. Okauchi, T. Yamaguchi, S. Tippireddy, S. Agrestini, M. García-Fernández, T. Mizokawa, K. Ohgushi, Ke-Jin Zhou, J. Chaloupka, J. Kuneš, A. Hariki, and H. Suzuki
   arXiv:2502.10809

4. [Publication]
   Metal-insulator transition in CaCu3Fe4O12
   Atsushi Hariki, Tatsuya Yamaguchi, Mathias Winder, and Jan Kuneš
   Journal of the Physical Society of Japan 93, 104702 (2024), arXiv

5. [Publication]
   Atomic multiple and charge-transfer screening effects in 1s and 2p core-level X-ray photoelectron spectra of early 3d transition -metal oxides
   T. Yamaguchi,  K. Higashi, A. Regoutz, Y. Takahashi, M. Lazemi, Q. Ch, F. M. F. de Groot, and A. Hariki
   Physical Review B 109, 205143 (2024)

6. [Publication]
   Mechanism of intermetallic charge transfer and bond disproportionation in BiNiO3 and PbNiO3 revealed by hard x-ray photoemission spectroscopy
   Tatsuya Yamaguchi, Mizuki Furo, Yuki Sakai, Takumi Nishikubo, Hajime Hojo, Masaki Azuma, Kengo Oka, Daisuke Mori, Yoshiyuki Inaguma, Masaichiro Mizumaki, Kento Yamamoto, Jan Kuneš
   Physical Review B 109, 205131 (2024), arXiv

7. [Publication]
   X-ray Magnetic Circular Dichroism in Altermagnetic α-MnTe
   A. Hariki, A. Dal Din, O. J. Amin, T. Yamaguchi, A. Badura, D. Kriegner, K. W. Edmonds, R. P. Campion, P. Wadley, D. Backes, L. S. I. Veiga, S. S. Dhesi, G. Springholz, L. Šmejkal, K. Výborný, T. Jungwirth, and J. Kuneš
   Physical Review Letters 132, 176701 (2024), arXiv

8. [Publication]
   Electronic structure of  ACu3Co4O12 (A=Y, La, Bi): Synthesis, characterization, core-level spectroscopies, high-pressure application, and ab initio calculation
   Yuta Kato, Meng-Jie Huang, Keito Kasebayashi, Takateru Kawakami, Tatsuya Yamaguchi, Jens Buck, Ru-Pan Wang, Matthias Kallane, Kai Rossnagel, Peter Nagel, Stefan Schuppler, Yoshihiro Takahashi, Takao Odake, Shogo Kawaguchi, Ikuya Yamada, and Atsushi Hariki
   Physical Review Materials 7, 073401 (2023)

9. [Publication]
   High-Pressure Synthesis of a Novel Quadruple Perovskite Oxide AgCu3Cr4O12
   Yuta Kato, Mizuki Furo, Tatsuya Yamaguchi, Atsushi Hariki and Ikuya Yamada
   Material Transactions (2023)

10. [Publication]
    Satellites in the Ti 1s core level spectra of SrTiO3 and TiO2
    Atsushi Hariki, Keisuke Higashi,  Tatsuya  Yamaguchi, Jiebin Li, Curran Kalha, Manfred Mascheck, Susanna K. Eriksson, Tomas Wiell, Frank M. F. de Groot, and Anna Regoutz
    Physical Review B 106, 205138 (2022), arXiv

11.  [Publication]
    Charge-transfer effect in Fe 2p core-level x-ray photoemission spectra of trivalent Fe oxides: LDA+DMFT study
    Keisuke Higashi, Tatsuya Yamaguchi, Yoshihiro Takahashi, and Atsushi Hariki
    J. Phys.: Condens. Matter 34 375602 (2022)

12. [Presentation (poster)] 
    International Workshop on Strong Correlations and Angle-Resolved Photoemission Spectroscopy, 10-15 September 2023, Beijing
    X-ray spectroscopies in Altermagnetic α-MnTe

13. [Presentation (poster)] 
    RIXS / REXS workshop 2023, Tohoku University, 2-4 August 2023, Sendai
    Cu L3-edge resonant inelastic x-ray scattering on isostructural copper oxides CaCu3Fe4O12 and EuCu3Fe4O12

14. [Presentation (oral)] 
    The 32nd Annual Meeting of MRS-J, 5-7 December 2022, Yokohama
    Metal-insulator transition in A-site ordered perovskite oxides ACu3Fe4O12

15. [Presentation (poster)] 
    International Conference Strongly correlated electron system, 24-29 July 2022, Amsterdam
    Metal-insulator transition in A-site ordered perovskite oxides ACu3Fe4O12

16. [Presentation (poster)] 
    International Workshop on Strong Correlations and Angle-Resolved Photoemission Spectroscopy, 11-15 July 2022, Online
    Metal-insulator transition in A-site ordered perovskite oxides ACu3Fe4O12

17. [Presentation (poster)] 
    JPS march meeting, 15-19 March 2022, Online
    Metal-insulator transition in A-site ordered perovskite oxides ACu3Fe4O12

Research Topics

1.  Theory of soft x-ray resonant inelastic x-ray scattering for strongly correlated materials

2.  Two particle excitations in transition metal oxides

3. X-ray magnetic circular dichroism in altermagnets

Research Achievements

1. [Publication]
   Determination of the Néel vector in rutile altermagnets through x-ray magnetic circular dichroism: the case of MnF2
   A. Hariki, T. Okauchi, Y. Takahashi, and J. Kuneš
   Physical Review B 110, L100402 (2024), arXiv:2405.11833

2. [Publication]
   Atomic multiple and charge-transfer screening effects in 1s and 2p core-level X-ray photoelectron spectra of early 3d transition -metal oxides
   T. Yamaguchi,  K. Higashi, A. Regoutz, Y. Takahashi, M. Lazemi, Q. Ch, F. M. F. de Groot, and A. Hariki
   Physical Review B 109, 205143 (2024)

3. [Publication]
   X-ray Magnetic Circular Dichroism in RuO2
   Atsushi Hariki, Yoshihiro Takahashi, and Jan Kuneš
   Physical Review B 109, 094413 (2024), arXiv:2312.02629 

4. [Publication]
   Electronic structure of  ACu3Co4O12 (A=Y, La, Bi): synthesis, characterization, core-level spectroscopies, high-pressure application, and ab-initio calculation
   Yuta Kato, Meng-Jie Huang, Keito Kasebayashi, Takateru Kawakami, Tatsuya Yamagiuchi, Jens Buck, Ru-Pan Wang, Matthias Kallane, Kai Rossnagel, Peter Nagel, Stefan Schuppler, Yoshihiro Takahashi, Takao Odake, Shogo Kawaguchi, Ikuya Yamada, and Atsushi Hariki
   Physical Review Materials 7, 073401 (2023)

5.  [Publication]
   Single- and multi-magnon dynamics in antiferromagnetic α-Fe2O3 thin films
   Jiemin Li, Yanhong Gu, Yoshihiro Takahashi, Keisuke Higashi, Taehun Kim,  Yang Cheng, Fengyuan Yang, Jan Kuneš, Jonathan Pelliciari, Atsushi Hariki, and Valentina Bisogni
   Physical Review X 13, 011012 (2023), arXiv
   反強磁性モット絶縁体の多重マグノン励起をRIXSで観測（研究紹介@大阪公立大学ウェブページ）

6. [Publication]
   Charge-transfer effect in Fe 2p core-level x-ray photoemission spectra of trivalent Fe oxides: LDA+DMFT study
   Keisuke Higashi, Tatsuya Yamaguchi, Yoshihiro Takahashi, and Atsushi Hariki
   J. Phys.: Condens. Matter 34 375602 (2022)

7. [Presentation (poster)] 

RIXS / REXS workshop 2023, Tohoku University, 2 August 2023,
LDA+DMFT approach to resonant inelastic x-ray scattering in strongly correlated magnetic systems

8. [Presentation (oral)] 

JPS march meeting, 22-25 March 2023, Online

Fe L3 端高分解能共鳴非弾性 X 線散乱を用いた Fe2O3 の高次マグノン励起の研究

9.  [Presentation (oral)] 
   次世代放射光で切り拓く軟X線科学 日本放射光学会 第14回若手研究会 , Tohoku University, Japan, 1 September 2022,
   Fe2O3 の Fe L3 端高分解能共鳴非弾性 X 線散乱

10. [Presentation (poster)] 
    JPS march meeting, 15-19 March 2022 Online
    Spin, orbital and charge excitations of Fe2O3 revealed by high resolution RIXS: LDA+DMFT analysis

Research Topics

1.  Theoretical simulation for core-level x-ray spectroscopy of infinite-layer nickelate superconductor

2.  Development of theoretical framework for resonant photoemission spectroscopy in correlated materials

Research Achievements

1. [Award]
   大阪公立大学 工学研究科 電子物理専攻 村田賞（2023年3月) 

2. [Award]
   大阪公立大学 学長顕彰受賞 （2022年12月15日)

3. [Award]
   大阪府立大学 学長顕彰受賞 （2021年11月5日)

4. [Award]
   Best Poster Presentation Award （最優秀ポスター賞）
   @ International Conference on X-ray Absorption Fine Structure 2021

5. [Publication]
   Atomic multiple and charge-transfer screening effects in 1s and 2p core-level X-ray photoelectron spectra of early 3d transition -metal oxides
   T. Yamaguchi,  K. Higashi, A. Regoutz, Y. Takahashi, M. Lazemi, Q. Ch, F. M. F. de Groot, and A. Hariki
   Physical Review B 109, 205143 (2024)

6. [Publication]
   Single- and multi-magnon dynamics in antiferromagnetic α-Fe2O3 thin films
   Jiemin Li, Yanhong Gu, Yoshihiro Takahashi, Keisuke Higashi, Taehun Kim,  Yang Cheng, Fengyuan Yang, Jan Kuneš, Jonathan Pelliciari, Atsushi Hariki, and Valentina Bisogni
   Physical Review X 13, 011012 (2023), arXiv 

7. [Publication]
   Satellites in the Ti 1s core level spectra of SrTiO3 and TiO2
   Atsushi Hariki, Keisuke Higashi,  Tatsuya  Yamaguchi, Jiebin Li, Curran Kalha, Manfred Mascheck, Susanna K. Eriksson, Tomas Wiell, Frank M. F. de Groot, and Anna Regoutz
   Physical Review B 106, 205138 (2022), arXiv

8.  [Publication]
   Charge-transfer effect in Fe 2p core-level x-ray photoemission spectra of trivalent Fe oxides: LDA+DMFT study
   Keisuke Higashi, Tatsuya Yamaguchi, Yoshihiro Takahashi, and Atsushi Hariki
   J. Phys.: Condens. Matter 34 375602 (2022)

9. [Publication]
   Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: LDA+DMFT Study
   Keisuke Higashi, Mathias Winder, Jan Kuneš, and Atsushi Hariki
   Physical Review X 11, 041009 (2021), arXiv

10.  [Presentation (oral)]
    International Conference on X-ray Absorption Fine Structure 2022, 10-15 July 2022, Sydney
    Core-level x-ray spectroscopy of infinite-layer nickelate: LDA+DMFT study 

11.  [Presentation (poster)]
    HAXPES 2022, May 31-June 3 2022, Himeji
    LDA+DMFT approach to core-level x-ray spectroscopies in correlated electron systems

12.  [Presentation (poster)] 
    JPS march meeting, 15-19 March 2022, Online
    Core-level x-ray spectroscopy of infinite-layer nickelate: LDA+DMFT study

13. [Presentation (poster)]
    International Conference on X-ray Absorption Fine Structure 2021, 11-13 July 2021, Online
    Core-level x-ray spectroscopy of infinite-layer nickelate: LDA+DMFT study
    The Best Poster Awards in this conference!

14.  [Presentation (poster)] 
    JPS march meeting, 12-15 March 2021, Online
    Core-level x-ray spectroscopy of infinite-layer nickelate: LDA+DMFT study