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RESEARCH PAPER · Physical Review X · 2021

Benchmark for Ab Initio Prediction of Magnetic Structures Based on Cluster-Multipole Theory

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Benchmark for Ab Initio Prediction of Magnetic Structures Based on Cluster-Multipole TheoryOriginalFirst-principles design of halide-reduced electrides: Magnetism and topological phases6Spin and anomalous Hall effects emerging from topological degeneracy in the Dirac fermion system CuMnAs7Spin-orbital-momentum locking under odd-parity magnetic quadrupole ordering19Efficient Method for Prediction of Metastable or Ground Multipolar Ordered States and Its Application in Monolayer α−RuX3 ( X=Cl , I)5Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles9Spin Conductivity Based on Magnetic Toroidal Quadrupole Hidden in Antiferromagnets23Generalization of microscopic multipoles and cross-correlated phenomena by their orderings42Generation of modulated magnetic structures based on cluster multipole expansion: Application to α -Mn and CoM3S618Magnetic interactions in intercalated transition metal dichalcogenides: A study based on ab initio model construction21Quantitative theory of magnetic interactions in solids112Surface segregation in high-entropy alloys from alchemical machine learning18High-throughput calculations of antiferromagnets hosting anomalous transport phenomena5Symmetry analysis with spin crystallographic groups: Disentangling effects free of spin-orbit coupling in emergent electromagnetism36Unified Description of Electronic Orderings and Cross Correlations by Complete Multipole Representation79Self-supervised representations and node embedding graph neural networks for accurate and multi-scale analysis of materials3Nonlinear magnetoelectric effect under magnetic octupole order: Application to a d -wave altermagnet and a pyrochlore lattice with all-in/all-out magnetic order18Charge transfer in heterostructures of T and H transition metal dichalcogenides11Influence of electrochemical solution activation on kinetics of pyrite flotation: Experimental and theoretical investigations0Superior catalytic activity of nano sized Ni produced by electrical explosion of wires towards the hydrogen storage of magnesium hydride10Spin models and cluster multipole method: Application to kagome magnets1Dipolar-octupolar correlations and hierarchy of exchange interactions in Ce 2 Hf 2 O 75Discovery of magnetic superstructures and magnetic transition temperatures in UO 2 and PuO 22Exploring the Magnetic Landscape of Easily Exfoliable Two-Dimensional Materials2Capturing exchange-correlation spin-torque effects with a semilocal functional0

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  1. First-principles design of halide-reduced electrides: Magnetism and topological phases

    Physical Review Materials · 2021-04-19

    Tonghua Yu, Motoaki Hirayama, José A. Flores‐Livas, Marie-Therese Huebsch, Takuya Nomoto, Ryotaro Arita

    Read original paper ↗ ·
  2. Spin and anomalous Hall effects emerging from topological degeneracy in the Dirac fermion system CuMnAs

    Physical review. B./Physical review. B · 2021-07-06

    Vu Thi Ngoc Huyen, Yuki Yanagi, Michi‐To Suzuki

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  3. Spin-orbital-momentum locking under odd-parity magnetic quadrupole ordering

    Physical review. B./Physical review. B · 2021-07-12

    Satoru Hayami, Hiroaki Kusunose

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  4. Efficient Method for Prediction of Metastable or Ground Multipolar Ordered States and Its Application in Monolayer α−RuX3 ( X=Cl , I)

    Physical Review Letters · 2021-09-29

    Wen-Xuan Qiu, Jinyu Zou, Ai-Yun Luo, Zhihai Cui, Zhi-Da Song, Jin-Hua Gao, Yilin Wang, Gang Xu

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  5. Magnetic structures and electronic properties of cubic-pyrochlore ruthenates from first principles

    Journal of Physics Condensed Matter · 2022-02-02

    M-T Huebsch, Yusuke Nomura, 志朗 酒井, R Arita

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  6. Spin Conductivity Based on Magnetic Toroidal Quadrupole Hidden in Antiferromagnets

    Journal of the Physical Society of Japan · 2022-05-09

    Satoru Hayami, Megumi Yatsushiro

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  7. Generalization of microscopic multipoles and cross-correlated phenomena by their orderings

    Journal of Physics Condensed Matter · 2022-09-14

    Hiroaki Kusunose, Satoru Hayami

    Read original paper ↗ ·
  8. Generation of modulated magnetic structures based on cluster multipole expansion: Application to α -Mn and CoM3S6

    Physical review. B./Physical review. B · 2023-01-10

    Yuki Yanagi, Hiroaki Kusunose, Takuya Nomoto, Ryotaro Arita, Michi‐To Suzuki

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  9. Magnetic interactions in intercalated transition metal dichalcogenides: A study based on ab initio model construction

    Physical review. B./Physical review. B · 2023-05-15

    Tatsuto Hatanaka, Takuya Nomoto, Ryotaro Arita

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  10. Quantitative theory of magnetic interactions in solids

    Reviews of Modern Physics · 2023-09-11

    A. Szilva, Y. O. Kvashnin, E. A. Stepanov, Lars Nordström, Olle Eriksson, Alexander I. Lichtenstein, Mikhail I. Katsnelson

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  11. Surface segregation in high-entropy alloys from alchemical machine learning

    Journal of Physics Materials · 2024-02-14

    Arslan Mazitov, Maximilian A. Springer, Nataliya Lopanitsyna, Guillaume Fraux, Sandip De, Michele Ceriotti

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  12. High-throughput calculations of antiferromagnets hosting anomalous transport phenomena

    Physical review. B./Physical review. B · 2024-03-26

    Takuya Nomoto, Susumu Minami, Yuki Yanagi, Michi‐To Suzuki, Takashi Koretsune, Ryotaro Arita

    Read original paper ↗ ·
  13. Symmetry analysis with spin crystallographic groups: Disentangling effects free of spin-orbit coupling in emergent electromagnetism

    Physical review. B./Physical review. B · 2024-03-28

    Hikaru Watanabe, Kohei Shinohara, Takuya Nomoto, Atsushi Togo, Ryotaro Arita

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  14. Unified Description of Electronic Orderings and Cross Correlations by Complete Multipole Representation

    Journal of the Physical Society of Japan · 2024-06-05

    Satoru Hayami, Hiroaki Kusunose

    Read original paper ↗ ·
  15. Self-supervised representations and node embedding graph neural networks for accurate and multi-scale analysis of materials

    Machine Learning Science and Technology · 2024-07-09

    Jian-Gang Kong, Ke-Lin Zhao, Jian Li, Qingxu Li, Yu Liu, Rui Zhang, Jia-Ji Zhu, Kai Chang

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  16. Nonlinear magnetoelectric effect under magnetic octupole order: Application to a d -wave altermagnet and a pyrochlore lattice with all-in/all-out magnetic order

    Physical review. B./Physical review. B · 2024-11-12

    Jun Ōiké, Koki Shinada, Robert Peters

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  17. Charge transfer in heterostructures of T and H transition metal dichalcogenides

    Physical review. B./Physical review. B · 2024-11-19

    Irián Sánchez-Ramírez, Maia G. Vergniory, Fernando de Juan

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  18. Influence of electrochemical solution activation on kinetics of pyrite flotation: Experimental and theoretical investigations

    Journal of Industrial and Engineering Chemistry · 2025-01-24

    Прохоров Константин Валерьевич, Mary A. Chibisova, Anurag Srivastava

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  19. Superior catalytic activity of nano sized Ni produced by electrical explosion of wires towards the hydrogen storage of magnesium hydride

    International Journal of Hydrogen Energy · 2025-02-12

    Viktor Nikolaevich Kudiiarov, Alan Kenzhiyev, Nikita E. Kurdyumov, Roman R. Elman, Leonid A. Svyatkin, Daria V. Terenteva

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  20. Spin models and cluster multipole method: Application to kagome magnets

    Physical review. B./Physical review. B · 2025-06-12

    Juba Bouaziz, Takuya Nomoto, Ryotaro Arita

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  21. Dipolar-octupolar correlations and hierarchy of exchange interactions in Ce 2 Hf 2 O 7

    Physical review. B./Physical review. B · 2025-11-10

    Victor Porée, Anish Bhardwaj, E. Lhotel, S. Petit, Nicolas Gauthier, Han Yan, Vladimir Pomjakushin, Jacques Ollivier, J. A. Quilliam, Andriy H. Nevidomskyy, Hitesh J. Changlani, Romain Sibille

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  22. Discovery of magnetic superstructures and magnetic transition temperatures in UO 2 and PuO 2

    Journal of Physics Condensed Matter · 2026-02-25

    Moli P. Smith, Theresa Davey, Michael J. D. Rushton, Matthew R. Gilbert, Simon C. Middleburgh

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  23. Exploring the Magnetic Landscape of Easily Exfoliable Two-Dimensional Materials

    ACS Nano · 2026-04-28

    Fatemeh Haddadi, Davide Campi, Flaviano José dos Santos, Nicolas Mounet, Louis Ponet, Nicola Marzari, Marco Gibertini

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  24. Capturing exchange-correlation spin-torque effects with a semilocal functional

    Physical review. B./Physical review. B · 2026-07-14

    Anonymous, Fabien Tran, Martijn Marsman

    Read original paper ↗ ·