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Original papers Reviews and other articles

    Preprints

  1. S. Kamiyama, T. Kaneko, K. Kuroki, and M. Ochi,
    "Optical control of the crystal structure in the bilayer nickelate superconductor La3Ni2O7 via nonlinear phononics"
    arXiv: 2501.11377.
  2. H. Sakakibara, R. Mizuno, M. Ochi, H. Usui, and K. Kuroki,
    "Theoretical study on the possibility of high Tc s±-wave superconductivity in the heavily hole-doped infinite layer nickelates"
    arXiv: 2407.21461.
  3. R. Sánchez-Barquilla, F. M. Vega, A. M. Ruiz, N. H. Jo, E. Herrera, J. J. Baldoví, M. Ochi, R. Arita, S. L. Bud'ko, P. C. Canfield, I. Guillamón, and H. Suderow,
    "Direct observation of linear dispersion close to the Fermi level in the topological semimetal WTe2 through Landau quantization at atomic scale"
    arXiv: 2405.13837.
  4. N. Kitamine, M. Ochi, and K. Kuroki,
    "Theoretical designing of multiband Nickelate and Palladate superconductors with d8+δ configuration"
    arXiv: 2308.12750.
  5. Y. Dong, Y. Kinoshita, M. Ochi, R. Nakachi, R. Higashinaka, S. Hayami, Y. Wan, Y. Arai, S. Huh, M. Hashimoto, D. Lu, M. Tokunaga, Y. Aoki, T. D. Matsuda, and T. Kondo,
    "Magnetic-domain-dependent pseudogap induced by Fermi surface nesting in a centrosymmetric skyrmion magnet"
    arXiv: 2307.08000.

    6. 2025

  6. H. Takahashi, M. Ito, J. Fujioka, M. Ochi, S. Sakai, R. Arita, H. Sagayama, Y. Yamasaki, and S. Ishiwata,
    "Mass enhancement and metal-nonmetal transition driven by d-f hybridization in perovskite La1-xPrxCuO3"
    Phys. Rev. B 111, 085153 (2025).
  7. S. Hirata, G. Lim, T. Ozawa, M. Wilde, K. Fukutani, M. Ochi, Y. Takagi, H. Kitagawa, and M. Maesato,
    "Efficient electron doping into KTaO3 by hydrogen ion beam"
    Phys. Rev. Mater. 9, 025002 (2025).
  8. *M. Ochi, *H. Sakakibara, H. Usui, and K. Kuroki,
    "Theoretical study of the crystal structure of the bilayer nickel-oxychloride Sr3Ni2O5Cl2 and analysis of possible unconventional superconductivity"
    Phys. Rev. B 111, 064511 (2025). [* equally contributed]
  9. M. Ochi, K. Nishiguchi, C. H. Lee, and K. Kuroki,
    "First-principles Study of Metallic-atom Diffusion in Thermoelectric Material Mg3Sb2"
    J. Phys. Soc. Jpn. 94, 024704 (2025).
  10. M. Kondo, M. Kimata, M. Ochi, T. Kaneko, K. Kuroki, K. Sudo, S. Sakaguchi, H. Murakawa, N. Hanasaki, and H. Sakai,
    "Nonreciprocal charge transport in polar Dirac metals with tunable spin-valley coupling"
    Phys. Rev. Res. 7, 013041 (2025).

    11. 2024

  11. T. Yagi, M. Ochi, and K. Kuroki,
    "Theoretical analysis of the origin of the double-well band dispersion in the CuO double chains of Pr2Ba4Cu7O15-δ and its impact on superconductivity"
    Phys. Rev. B 110, 184516 (2024).
  12. R. Noguchi, M. Kobayashi, K. Kawaguchi, W. Yamamori, K. Aido, C. Lin, H. Tanaka, K. Kuroda, A. Harasawa, V. Kandyba, M. Cattelan, A. Barinov, M. Hashimoto, D. Lu, M. Ochi, T. Sasagawa, and Takeshi Kondo,
    "Robust Weak Topological Insulator in the Bismuth Halide Bi4Br2I2"
    Phys. Rev. Lett. 133, 086602 (2024).
  13. T. Aida, K. Matsumoto, D. Ogura, M. Ochi, and K. Kuroki,
    "Theoretical study of spin-fluctuation-mediated superconductivity in two-dimensional Hubbard models with an incipient flat band"
    Phys. Rev. B 110, 054516 (2024).
  14. M. Watanabe, T. Higashihara, R. Asama, M. Tokuda, S. Suzuki, N. Jiang, M. Ochi, H. Ishizuka, H. K. Yoshida, and Y. Niimi,
    "Unconventional anomalous Hall effect in a triangular lattice antiferromagnet"
    Phys. Rev. B 110, 024431 (2024).
  15. Y. Dong, Y. Arai, K. Kuroda, M. Ochi, N. Tanaka, Y. Wan, M. D. Watson, T. K. Kim, C. Cacho, M. Hashimoto, D. Lu, Y. Aoki, T. D. Matsuda, and Takeshi Kondo,
    "Fermi Surface Nesting Driving the RKKY Interaction in the Centrosymmetric Skyrmion Magnet Gd2PdSi3"
    Phys. Rev. Lett. 133, 016401 (2024).
  16. Y. Fukushima, K. Kawaguchi, K. Kuroda, M. Ochi, M. Hirayama, R. Mori, H. Tanaka, A. Harasawa, T. Iimori, Z. Zhao, S. Tani, K. Yaji, S. Shin, F. Komori, Y. Kobayashi, and Takeshi Kondo,
    "Spin-polarized saddle points in the topological surface states of elemental bismuth revealed by pump-probe spin- and angle-resolved photoemission spectroscopy"
    Phys. Rev. B 110, L041401 (2024).
  17. Takeshi Kondo, M. Ochi, S. Akebi, Y. Dong, H. Taniguchi, Y. Maeno, and S. Shin,
    "Anomalous Fermi pockets on the Hund’s metal surface of Sr2RuO4 induced by correlation-enhanced spin-orbit couplng"
    Phys. Rev. B 109, L241107 (2024). (Editors' Suggestion)
  18. M. Kakoi, T. Kaneko, H. Sakakibara, M. Ochi, and K. Kuroki,
    "Pair correlations of the hybridized orbitals in a ladder model for the bilayer nickelate La3Ni2O7"
    Phys. Rev. B 109, L201124 (2024).
  19. *H. Sakakibara, *M. Ochi, *H. Nagata, *Y. Ueki, *H. Sakurai, R. Matsumoto, K. Terashima, K. Hirose, H. Ohta, M. Kato, Y. Takano, and K. Kuroki,
    "Theoretical analysis on the possibility of superconductivity in the trilayer Ruddlesden-Popper nickelate La4Ni3O10 under pressure and its experimental examination: Comparison with La3Ni2O7"
    Phys. Rev. B 109, 144511 (2024). [* equally contributed]
  20. H. Sakakibara, N. Kitamine, M. Ochi, and K. Kuroki,
    "Possible High Tc Superconductivity in La3Ni2O7 under High Pressure through Manifestation of a Nearly Half-Filled Bilayer Hubbard Model"
    Phys. Rev. Lett. 132, 106002 (2024).    Press release (in Japanese)
  21. T. Kaneko, H. Sakakibara, M. Ochi, and K. Kuroki,
    "Pair correlations in the two-orbital Hubbard ladder: Implications for superconductivity in the bilayer nickelate La3Ni2O7"
    Phys. Rev. B 109, 045154 (2024).

    22. 2023

  22. M. Ochi,
    "Electron-hole dichotomy and enhancement of the thermoelectric power factor by electron-hole-asymmetric relaxation time: A model study on a two-valley system with strong intervalley scattering"
    Phys. Rev. B 108, 195139 (2023).
  23. M. Namba, H. Takatsu, R. Mikita, Y. Sijia, K. Murayama, H.-B. Li, R. Terada, C. Tassel, H. Ubukata, M. Ochi, R. Saez-Puche, E. P. Latasa, N. Ishimatsu, D. Shiga, H. Kumigashira, K. Kinjo, S. Kitagawa, K. Ishida, T. Terashima, K. Fujita, T. Mashiko, K. Yanagisawa, K. Kimoto, and H. Kageyama,
    "Large Perpendicular Magnetic Anisotropy Induced by an Intersite Charge Transfer in Strained EuVO2H Films"
    J. Am. Chem. Soc. 145, 21807 (2023).    Press release (in Japanese)
  24. M. Ochi,
    "Fully self-consistent optimization of the Jastrow-Slater-type wave function using a similarity-transformed Hamiltonian"
    Phys. Rev. A 108, 032806 (2023).
  25. K. Hoshi, H. Arima, N. Kataoka, M. Ochi, A. Yamashita, A. de Visser, T. Yokoya, K. Kuroki, and Y. Mizuguchi,
    "Controlling of Localization by Elemental-substitution Effect in Layered BiCh2-based Compounds LaO1-xxFxBiS2-ySey"
    J. Phys. Soc. Jpn. 92, 054704 (2023).
  26. M. Kondo, M. Ochi, R. Kurihara, A. Miyake, Y. Yamasaki, M. Tokunaga, H. Nakao, K. Kuroki, T. Kida, M. Hagiwara, H. Murakawa, N. Hanasaki, and H. Sakai,
    "Field-tunable Weyl points and large anomalous Hall effect in the degenerate magnetic semiconductor EuMg2Bi2"
    Phys. Rev. B 107, L121112 (2023).
  27. M. Ochi,
    "TC++: First-principles calculation code for solids using the transcorrelated method"
    Comput. Phys. Commun. 287, 108687 (2023).
  28. H. Takahashi, K. Akiba, M. Takahashi, A. H. Mayo, M. Ochi, T. C. Kobayashi, and S. Ishiwata,
    "Superconductivity in a magnetic Rashba semimetal EuAuBi"
    J. Phys. Soc. Jpn. 92, 013701 (2023). (Editors' Choice)

    29. 2022

  29. Y. Tsujimoto, J. Sugiyama, M. Ochi, K. Kuroki, P. Manuel, D. D. Khalyavin, I. Umegaki, M. Månsson, D. Andreica, S. Hara, T. Sakurai, S. Okubo, H. Ohta, A. Boothroyd, and K. Yamaura,
    "Impact of mixed anion ordered state on the magnetic ground states of S=1/2 square-lattice quantum spin antiferromagnets, Sr2NiO3Cl and Sr2NiO3F"
    Phys. Rev. Mater. 6, 114404 (2022).
  30. H. Yamaoka, A. Yamashita, Y. Nakahira, M. Ochi, K. Kuroki, H. Arima, K. Matsubayashi, H. Ishii, N. Hiraoka, and Y. Mizuguchi,
    "Crystal and electronic structures of BiS2-based compounds Sr0.5X0.5FBiS2 (X = rare earth) under pressure: Correlation with the change in the superconductivity from unconventional to conventional"
    Phys. Rev. B 106, 205122 (2022).
  31. Y. Cao, M. A. Kirsanova, M. Ochi, W. A. Maksoud, T. Zhu, R. Rai, S. Gao, T. Tsumori, S. Kobayashi, S. Kawaguchi, E. Abou-Hamad, K. Kuroki, C. Tassel, A. M. Abakumov, Y. Kobayashi, and H. Kageyama,
    "Topochemical Synthesis of Ca3CrN3H Involving a Rotational Structural Transformation for Catalytic Ammonia Synthesis"
    Angew. Chem. Int. Ed. 61, e202209187 (2022).
  32. H. Yoshizawa, H. Sakai, M. Kondo, M. Ochi, K. Kuroki, N. Hanasaki, and J. Fujioka,
    "In-plane anisotropic charge dynamics in the layered polar Dirac semimetal BaMnSb2"
    Phys. Rev. B 105, L241110 (2022). (Editors' Suggestion)
  33. K. Murayama, H. Takatsu, M. Ochi, M. Namba, K. Kuroki, and H. Kageyama,
    "Chemical Pressure Effect on Structural and Physical Properties of 15R-SrVO2.2N0.6 with Anion-Vacancy Order"
    J. Phys. Soc. Jpn. 91, 064805 (2022).
  34. K. Nishiguchi, M. Ochi, C. H. Lee, and K. Kuroki,
    "Possibility of N-type Doping in CaAl2Si2-type Zintl Phase Compound CaZn2X2 (X = As, P)"
    J. Phys. Soc. Jpn. 91, 064707 (2022).
  35. M. Ochi and K. Kuroki,
    "First-principles study of defect formation energies in LaOXS2 (X = Sb, Bi)"
    Phys. Rev. B 105, 094110 (2022).
  36. R. Mizuno, M. Ochi, and K. Kuroki,
    "Simplification of the Local Full Vertex in the Impurity Problem in DMFT and Its Applications for the Nonlocal Correlation"
    J. Phys. Soc. Jpn. 91, 034002 (2022).

    37. 2021

  37. H. Mori, M. Ochi, and K. Kuroki,
    "First-principles study of the electrical resistivity in zirconium dichalcogenides with multivalley bands: Mode-resolved analysis of electron-phonon scattering"
    Phys. Rev. B 104, 235144 (2021).
  38. K. Miyazaki, M. Ochi, T. Nishikubo, J. Suzuki, T. Saito, T. Kamiyama, K. Kuroki, T. Yamamoto, and M. Azuma,
    "High-Pressure and High-Temperature Synthesis of Anion-Disordered Vanadium Perovskite Oxyhydrides"
    Inorg. Chem. 60, 15751 (2021).
  39. H. Nishiyama, H. Sakai, K. Nakagawa, N. Hanasaki, S. Ishiwata, H. Masuda, M. Ochi, K. Kuroki, S. Iguchi, T. Sasaki, Y. Ikemoto, T. Moriwaki, K. Ueda, Y. Tokura, and J. Fujioka,
    "Variation of charge dynamics upon antiferromagnetic transitions in the Dirac semimetal EuMnBi2"
    Phys. Rev. B 104, 115111 (2021).
  40. R. Mizuno, M. Ochi, and K. Kuroki,
    "Development of an efficient impurity solver in dynamical mean field theory for multiband systems: Iterative perturbation theory combined with parquet equations"
    Phys. Rev. B 104, 035160 (2021).
  41. Y. Yamashita, G. Lim, T. Maruyama, A. Chikamatsu, T. Hasegawa, H. Ogino, T. Ozawa, M. Wilde, K. Fukutani, T. Terashima, M. Ochi, K. Kuroki, H. Kitagawa, and M. Maesato,
    "Heavy carrier doping by hydrogen in the spin-orbit coupled Mott insulator Sr2IrO4"
    Phys. Rev. B 104, L041111 (2021).
  42. K. Higashi, M. Ochi, Y. Nambu, T. Yamamoto, T. Murakami, N. Yamashina, C. Tassel, Y. Matsumoto, H. Takatsu, C. M. Brown, and H. Kageyama,
    "Enhanced Magnetic Interaction by Face-Shared Hydride Anions in 6H-BaCrO2H"
    Inorg. Chem 60, 11957 (2021).
  43. H. Takatsu, M. Ochi, M. Namba, H. Li, A. Daniel, T. Terashima, K. Kuroki, and H. Kageyama,
    "Strain-Assisted Topochemical Synthesis of La-Doped SrVO2H Films"
    Cryst. Growth Des. 21, 3779 (2021).
  44. C. Lin, M. Ochi, R. Noguchi, K. Kuroda, M. Sakoda, A. Nomura, M. Tsubota, P. Zhang, C. Bareille, K. Kurokawa, Y. Arai, K. Kawaguchi, H. Tanaka, K. Yaji, A. Harasawa, M. Hashimoto, D. Lu, S. Shin, R. Arita, S. Tanda, and Takeshi Kondo,
    "Visualization of the strain-induced topological phase transition in a quasi-one-dimensional superconductor TaSe3"
    Nat. Mater. 20, 1093 (2021).    Press release (in Japanese).    News & Views.
  45. M. Kondo, M. Ochi, T. Kojima, R. Kurihara, D. Sekine, M. Matsubara, A. Miyake, M. Tokunaga, K. Kuroki, H. Murakawa, N. Hanasaki, and H. Sakai,
    "Tunable spin-valley coupling in layered polar Dirac metal BaMnBi2"
    Commun. Mater. 2, 49 (2021).    Press release (in Japanese)
  46. K. Tsuruda, K. Nakagawa, M. Ochi, K. Kuroki, M. Tokunaga, H. Murakawa, N. Hanasaki, and H. Sakai,
    "Enhancing Thermopower and Nernst Signal of High-Mobility Dirac Carriers by Fermi Level Tuning in the Layered Magnet EuMnBi2"
    Adv. Funct. Mater. 31, 2102275 (2021).
  47. K. Lee, J. Choe, D. Iaia, J. Li, J. Zhao, M. Shi, J. Ma, M. Yao, Z. Wang, C.-L. Huang, M. Ochi, R. Arita, U. Chatterjee, E. Moroson, V. Madhavan, and N. Trivedi,
    "Metal-to-insulator transition in Pt-doped TiSe2 driven by emergent network of narrow transport channels"
    npj Quantum Mater. 6, 8 (2021).
  48. R. Noguchi, M. Kobayashi, Z. Jiang, K. Kuroda, T. Takahashi, Z. Xu, D. Lee, M. Hirayama, M. Ochi, T. Shirasawa, P. Zhang, C. Lin, C. Bareille, S. Sakuragi, H. Tanaka, S. Kunisada, K. Kurokawa, K. Yaji, A. Harasawa, V. Kandyba, A. Giampietri, A. Barinov, T. K. Kim, C. Cacho, M. Hashimoto, D. Lu, S. Shin, R. Arita, K. Lai, T. Sasagawa, and Takeshi Kondo,
    "Evidence for a higher-order topological insulator in a three-dimensional material built from van der Waals stacking of bismuth-halide chains"
    Nat. Mater. 20, 473 (2021).    Press release (in Japanese)

    49. 2020

  49. T. Yamamoto, A. Chikamatsu, S. Kitagawa, N. Izumo, S. Yamashita, H. Takatsu, M. Ochi, T. Maruyama, M. Namba, W. Sun, T. Nakashima, F. Takeiri, K. Fujii, M. Yashima, Y. Sugisawa, M. Sano, Y. Hirose, D. Sekiba, C. M. Brown, T. Honda, K. Ikeda, T. Otomo, K. Kuroki, K. Ishida, T. Mori, K. Kimoto, T. Hasegawa, and H. Kageyama,
    "Strain-induced creation and switching of anion vacancy layers in perovskite oxynitrides"
    Nat. Commun. 11, 5923 (2020).    Press release (in Japanese)
  50. N. Kitamine, M. Ochi, and K. Kuroki,
    "Designing nickelate superconductors with d8 configuration exploiting mixed-anion strategy"
    Phys. Rev. Research 2, 042032(R) (2020).
  51. M. Ochi and K. Kuroki,
    "Quantifying the stability of the anion ordering in SrVO2H"
    Phys. Rev. B 102, 134108 (2020).
  52. K. Yamazaki, M. Ochi, D. Ogura, K. Kuroki, H. Eisaki, S. Uchida, and H. Aoki,
    "Superconducting mechanism for the cuprate Ba2CuO3+δ based on a multiorbital Lieb lattice model"
    Phys. Rev. Research 2, 033356 (2020).
  53. H. Takatsu, M. Ochi, N. Yamashina, M. Namba, K. Kuroki, T. Terashima, and H. Kageyama,
    "Epitaxial Stabilization of SrCu3O4 with Infinite Cu3/2O2 Layers"
    Inorg. Chem. 59, 10042 (2020).
  54. H. Takatsu, N. Yamashina, M. Ochi, H.-H. Huang, S. Kobayashi, A. Kuwabara, T. Terashima, K. Kuroki, and H. Kageyama,
    "Hidden Ladder in SrMoO3/SrTiO3 Superlattices: Experiments and Theoretical Calculations"
    J. Phys. Soc. Jpn. 89, 074801 (2020).
  55. H. Sakai, H. Fujimura, S. Sakuragi, M. Ochi, R. Kurihara, A. Miyake, M. Tokunaga, T. Kojima, D. Hashizume, T. Muro, K. Kuroda, T. Kondo, T. Kida, M. Hagiwara, K. Kuroki, M. Kondo, K. Tsuruda, H. Murakawa, and N. Hanasaki,
    "Bulk quantum Hall effect of spin valley coupled Dirac fermions in the polar antiferromagnet BaMnSb2"
    Phys. Rev. B 101, 081104(R) (2020).
  56. K. Kurematsu, M. Ochi, H. Usui, and K. Kuroki,
    "First-principles Study of LaOPbBiS3 and Its Analogous Compounds as Thermoelectric Materials"
    J. Phys. Soc. Jpn. 89, 024702 (2020).

    57. 2019

  57. M. Ochi and K. Kuroki,
    "Comparative First-Principles Study of Antiperovskite Oxides and Nitrides as Thermoelectric Material: Multiple Dirac Cones, Low-Dimensional Band Dispersion, and High Valley Degeneracy"
    Phys. Rev. Appl. 12, 034009 (2019).
  58. N. Hirayama, M. Ochi, and K. Kuroki,
    "Theoretical study of fluorine doping in layered LaOBiS2-type compounds"
    Phys. Rev. B 100, 125201 (2019).
  59. T. Nishimura, H. Sakai, H. Mori, K. Akiba, H. Usui, M. Ochi, K. Kuroki, A. Miyake, M. Tokunaga, Y. Uwatoko, K. Katayama, H. Murakawa, and N. Hanasaki,
    "Large Enhancement of Thermoelectric Efficiency Due to a Pressure-Induced Lifshitz Transition in SnSe"
    Phys. Rev. Lett. 122, 226601 (2019).    Press release (in Japanese)
  60. M. Ochi and K. Kuroki,
    "Effective interaction for vanadium oxyhydrides Srn+1VnO2n+1Hn (n = 1 and n → ∞): A constrained-RPA study"
    Phys. Rev. B 99, 155143 (2019).
  61. H. Usui, M. Ochi, S. Kitamura, T. Oka, D. Ogura, H. Rosner, M. W. Haverkort, V. Sunko, P. D. C. King, A. P. Mackenzie, and K. Kuroki,
    "Hidden kagome-lattice picture and origin of high conductivity in delafossite PtCoO2"
    Phys. Rev. Mater. 3, 045002 (2019). (Editors' Suggestion)
  62. R. Matsumoto, M. Nagao, M. Ochi, H. Tanaka, H. Hara, S. Aadachi, K. Nakamura, R. Murakami, S. Yamamoto, T. Irifune, H. Takeya, I. Tanaka, K. Kuroki, and Y. Takano,
    "Pressure-induced insulator to metal transition of mixed valence compound Ce(O,F)SbS2"
    J. Appl. Phys. 125, 075102 (2019). (Editor's Pick)
  63. R. Noguchi, T. Takahashi, K. Kuroda, M. Ochi, T. Shirasawa, M. Sakano, C. Bareille, M. Nakayama, M. D. Watson, K. Yaji, A. Harasawa, H. Iwasawa, P. Dudin, T. K. Kim, M. Hoesch, V. Kandyba, A. Giampietri, A. Barinov, S. Shin, R. Arita, T. Sasagawa, and Takeshi Kondo,
    "A weak topological insulator state in quasi-one-dimensional bismuth iodide"
    Nature 566, 518 (2019).    Press release (in Japanese)

    64. 2018

  64. D. Song, G. Guélou, T. Mori, M. Ochi, K. Kuroki, H. Fujihisa, Y. Gotoh, Y. Iwasa, H. Eisaki, and H. Ogino,
    "Synthesis and Physical Properties of Layered Copper Oxytellurides Sr2TMCu2Te2O2 (TM = Mn, Co, Zn)"
    J. Mater. Chem. C 6, 12260 (2018).
  65. H. Masuda, H. Sakai, M. Tokunaga, M. Ochi, H. Takahashi, K. Akiba, A. Miyake, K. Kuroki, Y. Tokura, and S. Ishiwata,
    "Impact of antiferromagnetic order on Landau-level splitting of quasi-two-dimensional Dirac fermions in EuMnBi2"
    Phys. Rev. B 98, 161108(R) (2018).
  66. M. Koshino, N. F. Q. Yuan, T. Koretsune, M. Ochi, K. Kuroki, and L. Fu,
    "Maximally Localized Wannier Orbitals and the Extended Hubbard Model for Twisted Bilayer Graphene"
    Phys. Rev. X 8, 031087 (2018).
  67. M. Ochi, M. Koshino, and K. Kuroki,
    "Possible correlated insulating states in magic-angle twisted bilayer graphene under strongly competing interactions"
    Phys. Rev. B 98, 081102(R) (2018).
  68. M. Ochi, H. Mori, D. Kato, H. Usui, and K. Kuroki,
    "Thermoelectric performance of materials with CuCh4 (Ch = S, Se) tetrahedra: Similarities and differences among their low-dimensional electronic structure from first principles"
    Phys. Rev. Mater. 2, 085401 (2018).
  69. J.-Q. Yan, M. Ochi, H. B. Cao, B. Saparov, J.-G. Cheng, Y. Uwatoko, R. Arita, B. C. Sales, and D. G. Mandrus,
    "Magnetic order of Nd5Pb3 single crystals"
    J. Phys.: Condens. Matter. 30, 135801 (2018).
  70. Kenta Kuroda, M. Ochi, H. S. Suzuki, M. Hirayama, M. Nakayama, R. Noguchi, C. Bareille, S. Akebi, S. Kunisada, T. Muro, M. D. Watson, H. Kitazawa, Y. Haga, T. K. Kim, M. Hoesch, S. Shin, R. Arita, and Takeshi Kondo,
    "Experimental Determination of the Topological Phase Diagram in Cerium Monopnictides"
    Phys. Rev. Lett. 120, 086402 (2018).    Press release (in Japanese)
  71. T. Yamamoto, K. Shitara, S. Kitagawa, A. Kuwabara, M. Kuroe, K. Ishida, M. Ochi, K. Kuroki, K. Fujii, M. Yashima, C. M. Brown, H. Takatsu, C. Tassel, and H. Kageyama,
    "Selective Hydride Occupation in BaVO3-xHx (0.3 ≤ x ≤ 0.8) with Face- and Corner-Shared Octahedra"
    Chem. Mater. 30, 1566 (2018).
  72. K. Suekuni, C. H. Lee, H. I. Tanaka, E. Nishibori, A. Nakamura, H. Kasai, H. Mori, H. Usui, M. Ochi, T. Hasegawa, M. Nakamura, S. Ohira-Kawamura, T. Kikuchi, K. Kaneko, H. Nishiate, K. Hashikuni, Y. Kosaka, K. Kuroki, and T. Takabatake,
    "Retreat from Stress: Rattling in a Planar Coordination"
    Adv. Mater. 30, 1706230 (2018).    Press release (in Japanese)
  73. T. Nagayama, K. Terashima, T. Wakita, H. Fujiwara, T. Fukura, Y. Yano, K. Ono, H. Kumigashira, O. Ogiso, A. Yamashita, Y. Takano, H. Mori, H. Usui, M. Ochi, K. Kuroki, Y. Muraoka, and T. Yokoya,
    "Direct observation of double valence-band extrema and anisotropic effective masses of the thermoelectric material SnSe"
    Jpn. J. Appl. Phys. 57, 010301 (RAPID COMMUNICATION) (2018).

    74. 2017

  74. M. Ochi, H. Usui, and K. Kuroki,
    "Prediction of the High Thermoelectric Performance of Pnictogen Dichalcogenide Layered Compounds with Quasi-One-Dimensional Gapped Dirac-like Band Dispersion"
    Phys. Rev. Appl. 8, 064020 (2017).
  75. R. Mizuno, M. Ochi, and K. Kuroki,
    "DMFT Study on the Electron-hole Asymmetry of the Electron Correlation Strength in the High Tc Cuprates"
    J. Phys. Soc. Jpn. 86, 114706 (2017).
  76. Y. Mizuguchi, Y. Hijikata, T. Abe, C. Moriyoshi, Y. Kuroiwa, Y. Goto, A. Miura, S. Lee, S. Torii, T. Kamiyama, C. H. Lee, M. Ochi, and K. Kuroki,
    "Crystal structure, site selectivity, and electronic structure of layered chalcogenide LaOBiPbS3"
    EPL 119, 26002 (2017).
  77. K. Kuroda, T. Tomita, M.-T. Suzuki, C. Bareille, A. A. Nugroho, P. Goswami, M. Ochi, M. Ikhlas, M. Nakayama, S. Akebi, R. Noguchi, R. Ishii, N. Inami, K. Ono, H. Kumigashira, A. Varykhalov, T. Muro, T. Koretsune, R. Arita, S. Shin, Takeshi Kondo, and S. Nakatsuji,
    "Evidence for magnetic Weyl fermions in a correlated metal"
    Nat. Mater. 16, 1090 (2017).    Press release (in Japanese)
  78. S. Okamoto, M. Ochi, R. Arita, J. Yan, and N. Trivedi,
    "Localized-itinerant dichotomy and unconventional magnetism in SrRu2O6"
    Sci. Rep. 7, 11742 (2017).
  79. T. Machida, Y. Kohsaka, K. Iwaya, R. Arita, T. Hanaguri, R. Suzuki, M. Ochi, and Y. Iwasa,
    "Orbital-dependent quasiparticle scattering interference in 3R-NbS2"
    Phys. Rev. B 96, 075206 (2017).
  80. H. Mori, H. Usui, M. Ochi, and K. Kuroki,
    "Temperature- and doping-dependent roles of valleys in the thermoelectric performance of SnSe: A first-principles study"
    Phys. Rev. B 96, 085113 (2017).
  81. M.-T. Suzuki, T. Koretsune, M. Ochi, and R. Arita,
    "Cluster multipole theory for anomalous Hall effect in antiferromagnets"
    Phys. Rev. B 95, 094406 (2017). (Editors' Suggestion)
  82. M. Ochi, R. Arita, and S. Tsuneyuki,
    "Correlated Band Structure of a Transition Metal Oxide ZnO Obtained from a Many-Body Wave Function Theory"
    Phys. Rev. Lett. 118, 026402 (2017).    Article (RIKEN Research)

    83. 2016

  83. *Takeshi Kondo, *M. Ochi, M. Nakayama, H. Taniguchi, S. Akebi, K. Kuroda, M. Arita, S. Sakai, H. Namatame, M. Taniguchi, Y. Maeno, R. Arita, and S. Shin,
    "Orbital-Dependent Band Narrowing Revealed in an Extremely Correlated Hund's Metal Emerging on the Topmost Layer of Sr2RuO4"
    Phys. Rev. Lett. 117, 247001 (2016). [* equally contributed]
  84. M. Ochi, R. Akashi, and K. Kuroki,
    "Strong Bilayer Coupling Induced by the Symmetry Breaking in the Monoclinic Phase of BiS2-Based Superconductors"
    J. Phys. Soc. Jpn. 85, 094705 (2016).
  85. L. Huang, T. M. McCormick, M. Ochi, Z. Zhao, M.-T. Suzuki, R. Arita, Y. Wu, D. Mou, H. Cao, J. Yan, N. Trivedi, and A. Kaminski,
    "Spectroscopic evidence for a type II Weyl semimetallic state in MoTe2"
    Nat. Mater. 15, 1155 (2016).
  86. M. Ochi, R. Arita, N. Trivedi, and S. Okamoto,
    "Strain-induced topological transition in SrRu2O6 and CaOs2O6"
    Phys. Rev. B 93, 195149 (2016).
  87. M. Ochi, Y. Yamamoto, R. Arita, and S. Tsuneyuki,
    "Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states"
    J. Chem. Phys. 144, 104109 (2016).

    88. 2015

  88. Y. Wu, N. H. Jo, M. Ochi, L. Huang, D. Mou, S. L. Bud'ko, P. C. Canfield, N. Trivedi, R. Arita, and A. Kaminski,
    "Temperature-Induced Lifshitz Transition in WTe2"
    Phys. Rev. Lett. 115, 166602 (2015).
  89. W. Tian, C. Svoboda, M. Ochi, M. Matsuda, H. B. Cao, J.-G. Cheng, B. C. Sales, D. G. Mandrus, R. Arita, N. Trivedi, and J.-Q. Yan,
    "High antiferromagnetic transition temperature of a honeycomb compound SrRu2O6"
    Phys. Rev. B 92, 100404(R) (2015).
  90. R. Akashi, M. Ochi, S. Bordács, R. Suzuki, Y. Tokura, Y. Iwasa, and R. Arita,
    "Two-Dimensional Valley Electrons and Excitons in Noncentrosymmetric 3R-MoS2"
    Phys. Rev. Appl. 4, 014002 (2015).
  91. M. Ochi, R. Arita, M. Matsumoto, H. Kino, and T. Miyake,
    "Robust flat bands in RCo5 (R=rare earth) compounds"
    Phys. Rev. B 91, 165137 (2015).
  92. M. Ochi and S. Tsuneyuki,
    "Second-order Møller-Plesset perturbation theory for the transcorrelated Hamiltonian applied to solid-state calculations"
    Chem. Phys. Lett. 621, 177 (2015). (Editor's Choice)

    93. 2014

  93. M. Ochi and S. Tsuneyuki,
    "Optical Absorption Spectra Calculated from a First-Principles Wave Function Theory for Solids: Transcorrelated Method Combined with Configuration Interaction Singles"
    J. Chem. Theory Comput. 10, 4098 (2014).
  94. M. Ochi, K. Sodeyama, and S. Tsuneyuki,
    "Optimization of the Jastrow factor using the random-phase approximation and a similarity-transformed Hamiltonian: Application to band-structure calculation for some semiconductors and insulators"
    J. Chem. Phys. 140, 074112 (2014).

    95. 2012

  95. M. Ochi, K. Sodeyama, R. Sakuma, and S. Tsuneyuki,
    "Efficient algorithm of the transcorrelated method for periodic systems"
    J. Chem. Phys. 136, 094108 (2012).

Proceeding

  1. M. Ochi and S. Tsuneyuki,
    "Optimization of the Jastrow factor in the correlated wave function of electrons using the first-principles transcorrelated method for solid-state calculations"
    J. Phys.: Conf. Ser. 454, 012020 (2013).