Mass enhancement and metal-nonmetal transition driven by d-f hybridization in perovskite L⁢a1−𝑥⁢P⁢r𝑥⁢Cu⁢O3

H. Takahashi, M. Ito, J. Fujioka, M. Ochi, S. Sakai, R. Arita, H. Sagayama, Y. Yamasaki, S. Ishiwata

Physical Review B　Vol. 111　No. 8　2025/02/28　Research paper (scientific journal)

Efficient electron doping into KTaO3 by hydrogen ion beam

S. Hirata, G. Lim, T. Ozawa, M. Wilde, K. Fukutani, M. Ochi, Y. Takagi, H. Kitagawa, M. Maesato

Physical Review Materials　Vol. 9　No. 2　2025/02/24　Research paper (scientific journal)

Theoretical study of the crystal structure of the bilayer nickel oxychloride Sr3⁢Ni2⁢O5⁢Cl2 and analysis of possible unconventional superconductivity

Masayuki Ochi, Hirofumi Sakakibara, Hidetomo Usui, Kazuhiko Kuroki

Physical Review B　Vol. 111　No. 6　2025/02　Research paper (scientific journal)

Nonreciprocal charge transport in polar Dirac metals with tunable spin-valley coupling

M. Kondo, M. Kimata, M. Ochi, T. Kaneko, K. Kuroki, K. Sudo, S. Sakaguchi, H. Murakawa, N. Hanasaki, H. Sakai

Physical Review Research　Vol. 7　No. 1　2025/01/10　Research paper (scientific journal)

First-principles Study of Metallic-atom Diffusion in Thermoelectric Material Mg3Sb2

Ochi, M., Nishiguchi, K., Lee, C H., Kuroki, K.

J. Phys. Soc. Jpn.　Vol. 94　No. 2　2025/01　Research paper (scientific journal)

Theoretical analysis of the origin of the double-well band dispersion in the CuO double chains of Pr2⁡Ba4⁢Cu7⁢O15−𝛿 and its impact on superconductivity

Toshiki Yagi, Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 110　No. 18　2024/11/21　Research paper (scientific journal)

Robust Weak Topological Insulator in the Bismuth Halide Bi4⁢Br2⁢I

Ryo Noguchi, Masaru Kobayashi, Kaishu Kawaguchi, Wataru Yamamori, Kohei Aido, Chun Lin, Hiroaki Tanaka, Kenta Kuroda, Ayumi Harasawa, Viktor Kandyba, Mattia Cattelan, Alexei Barinov, Makoto Hashimoto, Donghui Lu, Masayuki Ochi, Takao Sasagawa, Takeshi Kondo

Physical Review Letters　Vol. 133　No. 8　2024/08/22　Research paper (scientific journal)

Theoretical study of spin-fluctuation-mediated superconductivity in two-dimensional Hubbard models with an incipient flat band

Tetsuaki Aida, Karin Matsumoto, Daisuke Ogura, Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 110　No. 5　2024/08/19　Research paper (scientific journal)

Unconventional anomalous Hall effect in a triangular lattice antiferromagnet

Mori Watanabe, Tomo Higashihara, Ryotaro Asama, Masashi Tokuda, Shota Suzuki, Nan Jiang, Masayuki Ochi, Hiroaki Ishizuka, Hiroyuki K. Yoshida, Yasuhiro Niimi

Physical Review B　Vol. 110　No. 2　2024/07/26　Research paper (scientific journal)

Fermi Surface Nesting Driving the RKKY Interaction in the Centrosymmetric Skyrmion Magnet Gd2PdSi3

Yuyang Dong, Yosuke Arai, Kenta Kuroda, Masayuki Ochi, Natsumi Tanaka, Yuxuan Wan, Matthew D. Watson, Timur K. Kim, Cephise Cacho, Makoto Hashimoto, Donghui Lu, Yuji Aoki, Tatsuma D. Matsuda, Takeshi Kondo

Physical Review Letters　Vol. 133　No. 1　2024/07/02　Research paper (scientific journal)

Spin-polarized saddle points in the topological surface states of elemental bismuth revealed by pump-probe spin- and angle-resolved photoemission spectroscopy

Yuto Fukushima, Kaishu Kawaguchi, Kenta Kuroda, Masayuki Ochi, Motoaki Hirayama, Ryo Mori, Hiroaki Tanaka, Ayumi Harasawa, Takushi Iimori, Zhigang Zhao, Shuntaro Tani, Koichiro Yaji, Shik Shin, Fumio Komori, Yohei Kobayashi, Takeshi Kondo

Physical Review B　Vol. 110　No. 4　2024/07/01　Research paper (scientific journal)

Anomalous Fermi pockets on the Hund's metal surface of Sr2RuO4 induced by correlation-enhanced spin-orbit coupling

Takeshi Kondo, Masayuki Ochi, Shuntaro Akebi, Yuyang Dong, Haruka Taniguchi, Yoshiteru Maeno, Shik Shin

Physical Review B　Vol. 109　No. 24　2024/06/06　Research paper (scientific journal)

Pair correlations of the hybridized orbitals in a ladder model for the bilayer nickelate La3Ni2O7

Masataka Kakoi, Tatsuya Kaneko, Hirofumi Sakakibara, Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 109　No. 20　2024/05/24　Research paper (scientific journal)

Theoretical analysis on the possibility of superconductivity in the trilayer Ruddlesden-Popper nickelate La4Ni3O10 under pressure and its experimental examination: Comparison with La3Ni2O7

Hirofumi Sakakibara, Masayuki Ochi, Hibiki Nagata, Yuta Ueki, Hiroya Sakurai, Ryo Matsumoto, Kensei Terashima, Keisuke Hirose, Hiroto Ohta, Masaki Kato, Yoshihiko Takano, Kazuhiko Kuroki

Physical Review B　Vol. 109　No. 14　2024/04/10　Research paper (scientific journal)

Possible High Tc Superconductivity in La3Ni2O7 under High Pressure through Manifestation of a Nearly Half-Filled Bilayer Hubbard Model

Hirofumi Sakakibara, Naoya Kitamine, Masayuki Ochi, Kazuhiko Kuroki

Physical Review Letters　Vol. 132　No. 10　2024/03/04　Research paper (scientific journal)

Pair correlations in the two-orbital Hubbard ladder: Implications for superconductivity in the bilayer nickelate La3Ni2O7

Tatsuya Kaneko, Hirofumi Sakakibara, Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 109　No. 4　2024/01/31　Research paper (scientific journal)

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

Masayuki Ochi

Physical Review B　Vol. 108　No. 19　2023/11/20　Research paper (scientific journal)

Large Perpendicular Magnetic Anisotropy Induced by an Intersite Charge Transfer in Strained EuVO2H Films

Morito Namba, Hiroshi Takatsu, Riho Mikita, Yao Sijia, Kantaro Murayama, Hao-Bo Li, Ryo Terada, Cédric Tassel, Hiroki Ubukata, Masayuki Ochi, Regino Saez-Puche, Elias Palacios Latasa, Naoki Ishimatsu, Daisuke Shiga, Hiroshi Kumigashira, Katsuki Kinjo, Shunsaku Kitagawa, Kenji Ishida, Takahito Terashima, Koji Fujita, Takeaki Mashiko, Keiichi Yanagisawa, Koji Kimoto, Hiroshi Kageyama

Journal of the American Chemical Society　Vol. 145　No. 40　p. 21807-21816　2023/09/28　Research paper (scientific journal)

Fully self-consistent optimization of the Jastrow-Slater-type wave function using a similarity-transformed Hamiltonian

Masayuki Ochi

Physical Review A　Vol. 108　No. 3　2023/09/07　Research paper (scientific journal)

Controlling of Localization by Elemental-substitution Effect in Layered BiCh₂-based Compounds LaO_1−xF_xBiS_2−ySe_y

Kazuhisa Hoshi, Hiroto Arima, Noriyuki Kataoka, Masayuki Ochi, Aichi Yamashita, Anne de Visser, Takayoshi Yokoya, Kazuhiko Kuroki, Yoshikazu Mizuguchi

Journal of the Physical Society of Japan　Vol. 92　No. 5　2023/04/12　Research paper (scientific journal)

Field-tunable Weyl points and large anomalous Hall effect in the degenerate magnetic semiconductor EuMg2Bi2

M. Kondo, M. Ochi, R. Kurihara, A. Miyake, Y. Yamasaki, M. Tokunaga, H. Nakao, K. Kuroki, T. Kida, M. Hagiwara, H. Murakawa, N. Hanasaki, H. Sakai

Physical Review B　Vol. 107　No. 12　2023/03　Research paper (scientific journal)

TC++: First-principles calculation code for solids using the transcorrelated method

Masayuki Ochi

Computer Physics Communications　Vol. 287　No. 6　p. 108687-108687　2023/02　Research paper (scientific journal)

Superconductivity in a Magnetic Rashba Semimetal EuAuBi

Hidefumi Takahashi, Kazuto Akiba, Masayuki Takahashi, Alex H. Mayo, Masayuki Ochi, Tatsuo C. Kobayashi, Shintaro Ishiwata

Journal of the Physical Society of Japan　Vol. 92　No. 1　2023/01/15　Research paper (scientific journal)

Impact of mixed anion ordered state on the magnetic ground states of S = 1/2 square-lattice quantum spin antiferromagnets, Sr2NiO3Cl and Sr2NiO3F

Yoshihiro Tsujimoto, Jun Sugiyama, Masayuki Ochi, Kazuhiko Kuroki, Pascal Manuel, Dmitry D. Khalyavin, Izumi Umegaki, Martin Månsson, Daniel Andreica, Shigeo Hara, Takahiro Sakurai, Susumu Okubo, Hitoshi Ohta, Andrew Boothroyd, Kazunari Yamaura

Physical Review Materials　Vol. 6　No. 11　2022/11/17　Research paper (scientific journal)

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

Hitoshi Yamaoka, Aichi Yamashita, Yuki Nakahira, Masayuki Ochi, Kazuhiko Kuroki, Hiroto Arima, Kazuyuki Matsubayashi, Hirofumi Ishii, Nozomu Hiraoka, Yoshikazu Mizuguchi

Physical Review B　Vol. 106　No. 20　2022/11　Research paper (scientific journal)

Topochemical Synthesis of Ca3CrN3H Involving a Rotational Structural Transformation for Catalytic Ammonia Synthesis

Yu Cao, Maria A. Kirsanova, Masayuki Ochi, Walid Al Maksoud, Tong Zhu, Rohit Rai, Shenghan Gao, Tatsuya Tsumori, Shintaro Kobayashi, Shogo Kawaguchi, Edy Abou‐Hamad, Kazuhiko Kuroki, Cédric Tassel, Artem M. Abakumov, Yoji Kobayashi, Hiroshi Kageyama

Angewandte Chemie International Edition　Vol. 61　No. 39　2022/08/23　Research paper (scientific journal)

In-plane anisotropic charge dynamics in the layered polar Dirac semimetal BaMnSb2

H. Yoshizawa, H. Sakai, M. Kondo, M. Ochi, K. Kuroki, N. Hanasaki, J. Fujioka

Physical Review B　Vol. 105　No. 24　2022/06/15　Research paper (scientific journal)

Chemical Pressure Effect on Structural and Physical Properties of 15R-SrVO2.2N0.6 with Anion-Vacancy Order

K. Murayama, H. Takatsu, M. Ochi, M. Namba, K. Kuroki, H. Kageyama

Journal of the Physical Society of Japan　Vol. 91　No. 6　2022/05　Research paper (scientific journal)

Possibility of N-type Doping in CaAl2Si2-type Zintl Phase Compound CaZn2X2 (X = As, P)

K. Nishiguchi, M. Ochi, C.-H. Lee, K. Kuroki

Journal of the Physical Society of Japan　Vol. 91　No. 6　p. 064707-1-064707-6　2022/05　Research paper (scientific journal)

First-principles study of defect formation energies in LaOXS2 (X = Sb, Bi)

Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 105　No. 9　2022/03/21　Research paper (scientific journal)

Simplification of the Local Full Vertex in the Impurity Problem in DMFT and Its Applications for the Nonlocal Correlation

Ryota Mizuno, Masayuki Ochi, Kazuhiko Kuroki

Journal of the Physical Society of Japan　Vol. 91　No. 3　p. 034002-1-034002-16　2022/02/07　Research paper (scientific journal)

First-principles study of the electrical resistivity in zirconium dichalcogenides with multivalley bands: Mode-resolved analysis of electron-phonon scattering

Hitoshi Mori, Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 104　No. 23　p. 235144-1-235144-14　2021/12/22　Research paper (scientific journal)

High-Pressure and High-Temperature Synthesis of Anion-Disordered Vanadium Perovskite Oxyhydrides

Kazumasa Miyazaki, Masayuki Ochi, Takumi Nishikubo, Jinya Suzuki, Takashi Saito, Takashi Kamiyama, Kazuhiko Kuroki, Takafumi Yamamoto, Masaki Azuma

Inorganic Chemistry　Vol. 60　No. 20　p. 15751-15758　2021/10/18　Research paper (scientific journal)

Variation of charge dynamics upon antiferromagnetic transitions in the Dirac semimetal EuMnBi2

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, J. Fujioka

Physical Review B　Vol. 104　No. 11　2021/09/07　Research paper (scientific journal)

Author Correction: Visualization of the strain-induced topological phase transition in a quasi-one-dimensional superconductor TaSe3 (Nature Materials, (2021), 20, 8, (1093-1099), 10.1038/s41563-021-01004-4)

Chun Lin, Masayuki Ochi, Ryo Noguchi, Kenta Kuroda, Masahito Sakoda, Atsushi Nomura, Masakatsu Tsubota, Peng Zhang, Cedric Bareille, Kifu Kurokawa, Yosuke Arai, Kaishu Kawaguchi, Hiroaki Tanaka, Koichiro Yaji, Ayumi Harasawa, Makoto Hashimoto, Donghui Lu, Shik Shin, Ryotaro Arita, Satoshi Tanda, Takeshi Kondo

Nature Materials　Vol. 20　No. 8　2021/08/01　Research paper (scientific journal)

Heavy carrier doping by hydrogen in the spin-orbit coupled Mott insulator Sr2IrO4

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, M. Maesato

Physical Review B　Vol. 104　No. 4　2021/07/27　Research paper (scientific journal)

Enhanced Magnetic Interaction by Face-Shared Hydride Anions in 6H-BaCrO2H

Kentaro Higashi, Masayuki Ochi, Yusuke Nambu, Takafumi Yamamoto, Taito Murakami, Naoya Yamashina, Cédric Tassel, Yuki Matsumoto, Hiroshi Takatsu, Craig M. Brown, Hiroshi Kageyama

Inorganic Chemistry　Vol. 60　No. 16　p. 11957-11963　2021/07/26　Research paper (scientific journal)

Development of an efficient impurity solver in dynamical mean field theory for multiband systems: Iterative perturbation theory combined with parquet equations

Ryota Mizuno, Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 104　No. 3　2021/07　Research paper (scientific journal)

Enhancing Thermopower and Nernst Signal of High‐Mobility Dirac Carriers by Fermi Level Tuning in the Layered Magnet EuMnBi 2

Keigo Tsuruda, Kento Nakagawa, Masayuki Ochi, Kazuhiko Kuroki, Masashi Tokunaga, Hiroshi Murakawa, Noriaki Hanasaki, Hideaki Sakai

Advanced Functional Materials　Vol. 31　No. 29　p. 2102275-2102275　2021/07　Research paper (scientific journal)

Strain-Assisted Topochemical Synthesis of La-Doped SrVO2H Films

Hiroshi Takatsu, Masayuki Ochi, Morito Namba, Haobo Li, Aurelien Daniel, Takahito Terashima, Kazuhiko Kuroki, Hiroshi Kageyama

Crystal Growth & Design　Vol. 21　No. 7　p. 3779-3785　2021/06/03　Research paper (scientific journal)

Visualization of the strain-induced topological phase transition in a quasi-one-dimensional superconductor TaSe3

Chun Lin, Masayuki Ochi, Ryo Noguchi, Kenta Kuroda, Masahito Sakoda, Atsushi Nomura, Masakatsu Tsubota, Peng Zhang, Cedric Bareille, Kifu Kurokawa, Yosuke Arai, Kaishu Kawaguchi, Hiroaki Tanaka, Koichiro Yaji, Ayumi Harasawa, Makoto Hashimoto, Donghui Lu, Shik Shin, Ryotaro Arita, Satoshi Tanda, Takeshi Kondo

NATURE MATERIALS　Vol. 20　p. 1093-1099　2021/05　Research paper (scientific journal)

Tunable spin-valley coupling in layered polar Dirac metals

Masaki Kondo, Masayuki Ochi, Tatsuhiro Kojima, Ryosuke Kurihara, Daiki Sekine, Masakazu Matsubara, Atsushi Miyake, Masashi Tokunaga, Kazuhiko Kuroki, Hiroshi Murakawa, Noriaki Hanasaki, Hideaki Sakai

COMMUNICATIONS MATERIALS　Vol. 2　No. 1　2021/05　Research paper (scientific journal)

Evidence for a higher-order topological insulator in a three-dimensional material built from van der Waals stacking of bismuth-halide chains

Ryo Noguchi, Masaru Kobayashi, Zhanzhi Jiang, Kenta Kuroda, Takanari Takahashi, Zifan Xu, Daehun Lee, Motoaki Hirayama, Masayuki Ochi, Tetsuroh Shirasawa, Peng Zhang, Chun Lin, Cedric Bareille, Shunsuke Sakuragi, Hiroaki Tanaka, So Kunisada, Kifu Kurokawa, Koichiro Yaji, Ayumi Harasawa, Viktor Kandyba, Alessio Giampietri, Alexei Barinov, Timur K. Kim, Cephise Cacho, Makoto Hashimoto, Donghui Lu, Shik Shin, Ryotaro Arita, Keji Lai, Takao Sasagawa, Takeshi Kondo

NATURE MATERIALS　Vol. 20　No. 4　p. 473-+　2021/04　Research paper (scientific journal)

Metal-to-insulator transition in Pt-doped TiSe2 driven by emergent network of narrow transport channels

Kyungmin Lee, Jesse Choe, Davide Iaia, Juqiang Li, Junjing Zhao, Ming Shi, Junzhang Ma, Mengyu Yao, Zhenyu Wang, Chien-Lung Huang, Masayuki Ochi, Ryotaro Arita, Utpal Chatterjee, Emilia Morosan, Vidya Madhavan, Nandini Trivedi

npj Quantum Materials　Vol. 6　No. 1　2021/01　Research paper (scientific journal)

Strain-induced creation and switching of anion vacancy layers in perovskite oxynitrides

Takafumi Yamamoto, Akira Chikamatsu, Shunsaku Kitagawa, Nana Izumo, Shunsuke Yamashita, Hiroshi Takatsu, Masayuki Ochi, Takahiro Maruyama, Morito Namba, Wenhao Sun, Takahide Nakashima, Fumitaka Takeiri, Kotaro Fujii, Masatomo Yashima, Yuki Sugisawa, Masahito Sano, Yasushi Hirose, Daiichiro Sekiba, Craig M. Brown, Takashi Honda, Kazutaka Ikeda, Toshiya Otomo, Kazuhiko Kuroki, Kenji Ishida, Takao Mori, Koji Kimoto, Tetsuya Hasegawa, Hiroshi Kageyama

Nature Communications　Vol. 11　No. 1　2020/12　Research paper (scientific journal)

Designing nickelate superconductors with d8 configuration exploiting mixed-anion strategy

Naoya Kitamine, Masayuki Ochi, Kazuhiko Kuroki

Physical Review Research　Vol. 2　No. 4　2020/11/20　Research paper (scientific journal)

Quantifying the stability of the anion ordering in SrVO2H

Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 102　No. 13　2020/10　Research paper (scientific journal)

Superconducting mechanism for the cuprate Ba2CuO3+δ based on a multiorbital Lieb lattice model

Kimihiro Yamazaki, Masayuki Ochi, Daisuke Ogura, Kazuhiko Kuroki, Hiroshi Eisaki, Shinichi Uchida, Hideo Aoki

Physical Review Research　Vol. 2　No. 3　2020/09/02　Research paper (scientific journal)

Publisher Correction: A weak topological insulator state in quasi-one-dimensional bismuth iodide (Nature, (2019), 566, 7745, (518-522), 10.1038/s41586-019-0927-7)

Ryo 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, Takeshi Kondo

Nature　Vol. 584　No. 7819　2020/08/06　Research paper (scientific journal)

Epitaxial Stabilization of SrCu3O4 with Infinite Cu3/2O2 Layers

Hiroshi Takatsu, Masayuki Ochi, Naoya Yamashina, Morito Namba, Kazuhiko Kuroki, Takahito Terashima, Hiroshi Kageyama

Inorganic Chemistry　Vol. 59　No. 14　p. 10042-10047　2020/07/20　Research paper (scientific journal)

Hidden Ladder in SrMoO3/SrTiO3 Superlattices: Experiments and Theoretical Calculations

Hiroshi Takatsu, Naoya Yamashina, Masayuki Ochi, Hsin-Hui Huang, Shunsuke Kobayashi, Akihide Kuwabara, Takahito Terashima, Kazuhiko Kuroki, Hiroshi Kageyama

Journal of the Physical Society of Japan　Vol. 89　No. 7　p. 074801-074801　2020/07/15　Research paper (scientific journal)

Bulk quantum Hall effect of spin-valley coupled Dirac fermions in the polar antiferromagnet BaMnSb2

H. Sakai, H. Fujimura, S. Sakuragi, M. Ochi, R. Kurihara, A. Miyake, M. Tokunaga, T. Kojima, D. Hashizume, T. Muro, K. Kuroda, Takeshi Kondo, T. Kida, M. Hagiwara, K. Kuroki, M. Kondo, K. Tsuruda, H. Murakawa, N. Hanasaki

Physical Review B　Vol. 101　No. 8　2020/02/13　Research paper (scientific journal)

First-principles Study of LaOPbBiS3 and Its Analogous Compounds as Thermoelectric Materials

Keiya Kurematsu, Masayuki Ochi, Hidetomo Usui, Kazuhiko Kuroki

Journal of the Physical Society of Japan　Vol. 89　No. 2　2020/01　Research paper (scientific journal)

Comparative First-Principles Study of Antiperovskite Oxides and Nitrides as Thermoelectric Material: Multiple Dirac Cones, Low-Dimensional Band Dispersion, and High Valley Degeneracy

Masayuki Ochi, Kazuhiko Kuroki

Physical Review Applied　Vol. 12　No. 3　2019/09　Research paper (scientific journal)

Theoretical study of fluorine doping in layered LaOBiS2-type compounds

Naomi Hirayama, Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 100　No. 12　2019/09　Research paper (scientific journal)

Large Enhancement of Thermoelectric Efficiency Due to a Pressure-Induced Lifshitz Transition in SnSe

T. Nishimura, H. Sakai, H. Mori, K. Akiba, H. Usui, M. Ochi, K. Kuroki, A. Miyake, M. Tokunaga, Y. Uwatoko, K. Katayama, H. Murakawa, N. Hanasaki

Physical Review Letters　Vol. 122　No. 22　2019/06　Research paper (scientific journal)

Effective interaction for vanadium oxyhydrides Srn+1VnO2n+1Hn (n=1 and n→∞): A constrained-RPA study

Masayuki Ochi, Kazuhiko Kuroki

Physical Review B　Vol. 99　No. 15　2019/04　Research paper (scientific journal)

Hidden kagome-lattice picture and origin of high conductivity in delafossite PtCoO2

Hidetomo Usui, Masayuki Ochi, Sota Kitamura, Takashi Oka, Daisuke Ogura, Helge Rosner, Maurits W. Haverkort, Veronika Sunko, Philip, D. C. King, Andrew P. Mackenzie, Kazuhiko Kuroki

Physical Review Materials　Vol. 3　No. 4　2019/04　Research paper (scientific journal)

Pressure-induced insulator to metal transition of mixed valence compound Ce(O,F)SbS2

Matsumoto Ryo, Nagao Masanori, Ochi Masayuki, Tanaka Hiromi, Hara Hiroshi, Adachi Shintaro, Nakamura Kazuki, Murakami Ryo, Yamamoto Sayaka, Irifune Tetsuo, Takeya Hiroyuki, Tanaka Isao, Kuroki Kazuhiko, Takano Yoshihiko

Journal of Applied Physics　Vol. 125　No. 7　p. 075102-075102　2019　Research paper (scientific journal)

A weak topological insulator state in quasi-one-dimensional bismuth iodide

Noguchi Ryo, Takahashi T, Kuroda K, Ochi M, Shirasawa T, Sakano M, Bareille C, Nakayama M, Watson M. D, Yaji K, Harasawa A, Iwasawa H, Dudin P, Kim T. K, Hoesch M, Kandyba V, Giampietri A, Barinov A, Shin S, Arita R, Sasagawa T, Kondo Takeshi

Nature　Vol. 566　No. 7745　p. 518-+　2019

Theoretical Aspects of the Study on the Thermoelectric Properties of Pnictogen-Dichalcogenide Layered Compounds

Masayuki Ochi, Hidetomo Usui, Kazuhiko Kuroki

Journal of the Physical Society of Japan　Vol. 88　No. 4　2019/01　Research paper (scientific journal)

Synthesis and the physical properties of layered copper oxytellurides Sr2TMCu2Te2O2 (TM = Mn, Co, Zn)

Dongjoon Song, Gabin Guélou, Takao Mori, Masayuki Ochi, Kazuhiko Kuroki, Hiroshi Fujihisa, Yoshito Gotoh, Yuki Iwasa, Hiroshi Eisaki, Hiraku Ogino

Journal of Materials Chemistry C　Vol. 6　No. 45　p. 12260-12266　2018/10　Research paper (scientific journal)

Impact of antiferromagnetic order on Landau-level splitting of quasi-two-dimensional Dirac fermions in EuMnBi2

Hidetoshi Masuda, Hideaki Sakai, Masashi Tokunaga, Masayuki Ochi, Hidefumi Takahashi, Kazuto Akiba, Atsushi Miyake, Kazuhiko Kuroki, Yoshinori Tokura, Shintaro Ishiwata

Physical Review B　Vol. 98　No. 16　2018/10　Research paper (scientific journal)

Maximally Localized Wannier Orbitals and the Extended Hubbard Model for Twisted Bilayer Graphene

Mikito Koshino, Noah F, Q. Yuan, Takashi Koretsune, Masayuki Ochi, Kazuhiko Kuroki, Liang Fu

Physical Review X　Vol. 8　No. 3　2018/09　Research paper (scientific journal)

Possible correlated insulating states in magic-angle twisted bilayer graphene under strongly competing interactions

Ochi Masayuki, Koshino Mikito, Kuroki Kazuhiko

PHYSICAL REVIEW B　Vol. 98　No. 8　2018/08/03　Research paper (scientific journal)

Thermoelectric performance of materials with CuCh(4) (Ch = S, Se) tetrahedra: Similarities and differences among their low-dimensional electronic structure from first principles

Ochi Masayuki, Mori Hitoshi, Kato Daichi, Usui Hidetomo, Kuroki Kazuhiko

PHYSICAL REVIEW MATERIALS　Vol. 2　No. 8　2018/08/02　Research paper (scientific journal)

Retreat from Stress: Rattling in a Planar Coordination

Koichiro Suekuni, Chul Ho Lee, Hiromi I. Tanaka, Eiji Nishibori, Atsushi Nakamura, Hidetaka Kasai, Hitoshi Mori, Hidetomo Usui, Masayuki Ochi, Takumi Hasegawa, Mitsutaka Nakamura, Seiko Ohira-Kawamura, Tatsuya Kikuchi, Koji Kaneko, Hirotaka Nishiate, Katsuaki Hashikuni, Yasufumi Kosaka, Kazuhiko Kuroki, Toshiro Takabatake

Advanced Materials　Vol. 30　No. 13　2018/03/27　Research paper (scientific journal)

Selective Hydride Occupation in BaVO3-xHx (0.3 ≤ × ≤ 0.8) with Faceand Corner-Shared Octahedra

Takafumi Yamamoto, Kazuki Shitara, Shunsaku Kitagawa, Akihide Kuwabara, Masahiro Kuroe, Kenji Ishida, Masayuki Ochi, Kazuhiko Kuroki, Kotaro Fujii, Masatomo Yashima, Craig M. Brown, Hiroshi Takatsu, Cedric Tassel, Hiroshi Kageyama

Chemistry of Materials　Vol. 30　No. 5　p. 1566-1574　2018/03/13　Research paper (scientific journal)

Magnetic order of Nd5Pb3 single crystals

J. Q. Yan, M. Ochi, H. B. Cao, B. Saparov, J. G. Cheng, Y. Uwatoko, R. Arita, B. C. Sales, D. G. Mandrus

Journal of Physics Condensed Matter　Vol. 30　No. 13　2018/03/02　Research paper (scientific journal)

Experimental Determination of the Topological Phase Diagram in Cerium Monopnictides

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, Takeshi Kondo

Physical Review Letters　Vol. 120　No. 8　2018/02/21　Research paper (scientific journal)

Direct observation of double valence-band extrema and anisotropic effective masses of the thermoelectric material SnSe

Takanobu Nagayama, Kensei Terashima, Takanori Wakita, Hirokazu Fujiwara, Tetsushi Fukura, Yuko Yano, Kanta Ono, Hiroshi Kumigashira, Osamu Ogiso, Aichi Yamashita, Yoshihiko Takano, Hitoshi Mori, Hidetomo Usui, Masayuki Ochi, Kazuhiko Kuroki, Yuji Muraoka, Takayoshi Yokoya

JAPANESE JOURNAL OF APPLIED PHYSICS　Vol. 57　No. 1　2018/01　Research paper (scientific journal)

Prediction of the High Thermoelectric Performance of Pnictogen Dichalcogenide Layered Compounds with Quasi-One-Dimensional Gapped Dirac-like Band Dispersion

Masayuki Ochi, Hidetomo Usui, Kazuhiko Kuroki

PHYSICAL REVIEW APPLIED　Vol. 8　No. 6　2017/12　Research paper (scientific journal)

DMFT Study on the Electron-hole Asymmetry of the Electron Correlation Strength in the High T-c Cuprates

Ryota Mizuno, Masayuki Ochi, Kazuhiko Kuroki

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 86　No. 11　2017/11　Research paper (scientific journal)

Evidence for magnetic Weyl fermions in a correlated metal

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, S. Nakatsuji

NATURE MATERIALS　Vol. 16　No. 11　p. 1090-+　2017/11　Research paper (scientific journal)

Localized-itinerant dichotomy and unconventional magnetism in SrRu2O6

Satoshi Okamoto, Masayuki Ochi, Ryotaro Arita, Jiaqiang Yan, Nandini Trivedi

SCIENTIFIC REPORTS　Vol. 7　2017/09　Research paper (scientific journal)

Temperature- and doping-dependent roles of valleys in the thermoelectric performance of SnSe: A first-principles study

Hitoshi Mori, Hidetomo Usui, Masayuki Ochi, Kazuhiko Kuroki

PHYSICAL REVIEW B　Vol. 96　No. 8　2017/08　Research paper (scientific journal)

Crystal structure, site selectivity, and electronic structure of layered chalcogenide LaOBiPbS3

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, K. Kuroki

EPL　Vol. 119　No. 2　2017/07　Research paper (scientific journal)

Cluster multipole theory for anomalous Hall effect in antiferromagnets

M. -T. Suzuki, T. Koretsune, M. Ochi, R. Arita

PHYSICAL REVIEW B　Vol. 95　No. 9　2017/03　Research paper (scientific journal)

Orbital-dependent quasiparticle scattering interference in 3R-NbS2

Machida, T., Kohsaka, Y., Iwaya, K., Arita, R., Hanaguri, T., Suzuki, R., Ochi, M., Iwasa, Y.

Physical Review B　Vol. 96　No. 7　2017　Research paper (scientific journal)

Correlated Band Structure of a Transition Metal Oxide ZnO Obtained from a Many-Body Wave Function Theory

Masayuki Ochi, Ryotaro Arita, Shinji Tsuneyuki

PHYSICAL REVIEW LETTERS　Vol. 118　No. 2　2017/01　Research paper (scientific journal)

Orbital-Dependent Band Narrowing Revealed in an Extremely Correlated Hund's Metal Emerging on the Topmost Layer of Sr2RuO4

Takeshi Kondo, M. Ochi, M. Nakayama, H. Taniguchi, S. Akebi, K. Kuroda, M. Arita, S. Sakai, H. Namatame, M. Taniguchi, Y. Maeno, R. Arita, S. Shin

PHYSICAL REVIEW LETTERS　Vol. 117　No. 24　2016/12　Research paper (scientific journal)

Spectroscopic evidence for a type II Weyl semimetallic state in MoTe2

Lunan Huang, Timothy M. McCormick, Masayuki Ochi, Zhiying Zhao, Michi-To Suzuki, Ryotaro Arita, Yun Wu, Daixiang Mou, Huibo Cao, Jiaqiang Yan, Nandini Trivedi, Adam Kaminski

NATURE MATERIALS　Vol. 15　No. 11　p. 1155-+　2016/11　Research paper (scientific journal)

Strong Bilayer Coupling Induced by the Symmetry Breaking in the Monoclinic Phase of BiS2-Based Superconductors

Masayuki Ochi, Ryosuke Akashi, Kazuhiko Kuroki

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN　Vol. 85　No. 9　2016/09　Research paper (scientific journal)

Strain-induced topological transition in SrRu2O6 and CaOs2O6

Masayuki Ochi, Ryotaro Arita, Nandini Trivedi, Satoshi Okamoto

PHYSICAL REVIEW B　Vol. 93　No. 19　2016/05　Research paper (scientific journal)

Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to sp-electron systems with deep core states

Masayuki Ochi, Yoshiyuki Yamamoto, Ryotaro Arita, Shinji Tsuneyuki

JOURNAL OF CHEMICAL PHYSICS　Vol. 144　No. 10　2016/03　Research paper (scientific journal)

22aBL-11 DMFT analysis for the doping dependence of the quasiparticle density in the effective model for HgBa_2CuO_4

Mizuno Ryota, Ochi Masayuki, Kuroki Kazuhiko

Meeting Abstracts of the Physical Society of Japan　Vol. 71　p. 2358-2358　2016

22aBN-7 First-principles study on the high-pressure monoclinic phase of the LaO_<0.5>F_<0.5>BiS_2 superconductor

Ochi M., Akashi R., Kuroki K.

Meeting Abstracts of the Physical Society of Japan　Vol. 71　p. 2378-2378　2016

Temperature-Induced Lifshitz Transition in WTe2

Yun Wu, Na Hyun Jo, Masayuki Ochi, Lunan Huang, Daixiang Mou, Sergey L. Bud'ko, P. C. Canfield, Nandini Trivedi, Ryotaro Arita, Adam Kaminski

PHYSICAL REVIEW LETTERS　Vol. 115　No. 16　2015/10　Research paper (scientific journal)

High antiferromagnetic transition temperature of the honeycomb compound SrRu2O6

W. Tian, C. Svoboda, M. Ochi, M. Matsuda, H. B. Cao, J. -G. Cheng, B. C. Sales, D. G. Mandrus, R. Arita, N. Trivedi, J. -Q. Yan

PHYSICAL REVIEW B　Vol. 92　No. 10　2015/09　Research paper (scientific journal)

Two-Dimensional Valley Electrons and Excitons in Noncentrosymmetric 3R-MoS2

Ryosuke Akashi, Masayuki Ochi, Sandor Bordacs, Ryuji Suzuki, Yoshinori Tokura, Yoshihiro Iwasa, Ryotaro Arita

PHYSICAL REVIEW APPLIED　Vol. 4　No. 1　2015/07　Research paper (scientific journal)

Robust flat bands in RCo5 (R = rare earth) compounds

Masayuki Ochi, Ryotaro Arita, Munehisa Matsumoto, Hiori Kino, Takashi Miyake

Physical Review B - Condensed Matter and Materials Physics　Vol. 91　No. 16　2015/04/29　Research paper (scientific journal)

Robust flat bands in RCo5 (R = rare earth) compounds

Masayuki Ochi, Ryotaro Arita, Munehisa Matsumoto, Hiori Kino, Takashi Miyake

PHYSICAL REVIEW B　Vol. 91　No. 16　2015/04　Research paper (scientific journal)

Second-order Moller-Plesset perturbation theory for the transcorrelated Hamiltonian applied to solid-state calculations

Masayuki Ochi, Shinji Tsuneyuki

CHEMICAL PHYSICS LETTERS　Vol. 621　p. 177-183　2015/02

Optical Absorption Spectra Calculated from a First-Principles Wave Function Theory for Solids: Transcorrelated Method Combined with Configuration Interaction Singles

Masayuki Ochi, Shinji Tsuneyuki

JOURNAL OF CHEMICAL THEORY AND COMPUTATION　Vol. 10　No. 9　p. 4098-4103　2014/09　Research paper (scientific journal)

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

Masayuki Ochi, Keitaro Sodeyama, Shinji Tsuneyuki

JOURNAL OF CHEMICAL PHYSICS　Vol. 140　No. 7　2014/02　Research paper (scientific journal)

Optimization of the Jastrow factor in the correlated wave function of electrons using the first-principles transcorrelated method for solid-state calculations

Masayuki Ochi, Shinji Tsuneyuki

24TH IUPAP CONFERENCE ON COMPUTATIONAL PHYSICS (IUPAP-CCP 2012)　Vol. 454　2013　Research paper (international conference proceedings)

Efficient algorithm of the transcorrelated method for periodic systems

Masayuki Ochi, Keitaro Sodeyama, Rei Sakuma, Shinji Tsuneyuki

JOURNAL OF CHEMICAL PHYSICS　Vol. 136　No. 9　2012/03　Research paper (scientific journal)