Publications

2023

  • Hiroshi Watanabe, Tomonori Shirakawa, Kazuhiro Seki, Hirofumi Sakakibara, Takao Kotani, Hiroaki Ikeda, Seiji Yunoki, "Monte Carlo study of cuprate superconductors in a four-band d-p model: Role of orbital degrees of freedom", J. Phys.: Condens. Matter 35, 195601 (2023).
  • Kenji Tsutsui, Kazuya Shinjo, Shigetoshi Sota, Takami Tohyama, "Exciton-assisted low-energy magnetic excitations in a photoexcited Mott insulator on a square lattice", Commun. Phys. 6, 41 (2023).

    • 2022

    • Qing Xie, Kazuhiro Seki, and Seiji Yunoki, "Variational counterdiabatic driving of the Hubbard model for ground-state preparation", Phys. Rev. B 106, 155153 (2022).
    • Kazuhiro Seki and Seiji Yunoki, "Energy-filtered random-phase states as microcanonical thermal pure quantum states", Phys. Rev. B 106, 155111 (2022).
    • Kazuya Shinjo, Shigetoshi Sota, and Takami Tohyama, "Glassy dynamics of the one-dimensional Mott insulator excited by a strong terahertz pulse", Phys. Rev. Research 4, L032019 (2022).
    • Tomonori Shirakawa and Seiji Yunoki, "Local multiplet formation around a single vacancy in graphene: An effective Anderson model analysis based on the block-Lanczos DMRG method", Phys. Rev. B 105, 184110 (2022).
    • Hiroshi Ueda, Seiji Yunoki, and Tokuro Shimokawa, "Quantum spin solver near saturation: QS3", Computer Physics Communications 277, 108369 (2022).
    • Kazuhiro Seki, Yuichi Otsuka, and Seiji Yunoki, "Gutzwiller wave function on a quantum computer using a discrete Hubbard-Stratonovich transformation", Phys. Rev. B 105, 155119 (2022).
    • Hiroshi Ueda, Yuichi Otsuka, and Seiji Yunoki, "Quantum-inspired search method for low-energy states of classical Ising Hamiltonians", J. Phys. Soc. Jpn. 91, 044005 (2022).
    • Yuichi Otsuka, Kazuhiro Seki, Sandro Sorella, and Seiji Yunoki, "QMC study of the chiral Heisenberg Gross-Neveu universality class", J. Phys.: Conf. Ser. 2207, 012030 (2022).
    • Kazuhiro Seki and Seiji Yunoki, "Spatial, spin, and charge symmetry projections for a Fermi-Hubbard model on a quantum computer", Phys. Rev. A 105, 032419 (2022).

      • 2021

      • S. Teranishi, K. Nishiguchi, S. Yunoki, K. Kusakabe, "Effect of on-site Coulomb repulsion on ferromagnetic fluctuations in heavily over-doped cuprates", J. Phys. Soc. Jpn. 90, 094707 (2021).
      • K. Takada, S. Sota, S. Yunoki, B. Pokharel, H. Nishimori, D. A. Lidar, "Phase transitions in the frustrated Ising ladder with stoquastic and nonstoquastic catalysts", Phys. Rev. Research 3, 043013 (2021).
      • Y. Otsuka, T. Yoshida, K. Kudo, S. Yunoki,and Y. Hatsugai "Higher-Order Topological Mott Insulator on the Pyrochlore Lattice", Scientific Reports 11, 20270 (2021).
      • H. Watanabe, T. Shirakawa, K. Seki, H. Sakakibara, T. Kotani, H. Ikeda, and S. Yunoki, "Unified description of cuprate superconductors using four-band d-p model", Phys. Rev. Research 3, 033157 (2021).
      • J. Fujimoto, F. Lange, S. Ejima, T. Shirakawa, H. Fehske, S. Yunoki, and S. Maekawa, "Spin-charge conversion and current vortex in spin-orbit coupled systems", APL Materials 9, 060904 (2021).
      • T. Shirakawa, K. Seki, and S. Yunoki, "Discretized quantum adiabatic process for free fermions and comparison with the imaginary-time evolution", Phys. Rev. Research 3, 013004 (2021).
      • H. Abdelsalam, S. Yunoki, and Q. Zhang,"Boosted spintronic properties in triangular Si-based nanoflakes",Physica E: Low-dimensional Systems and Nanostructures, 130, 114699 (2021).
      • K. Seki and S. Yunoki, "Quantum Power Method by a Superposition of Time-Evolved States", PRX Quantum 2, 010333 (2021).
      • N. C. Costa, K. Seki, and S. Sorella, "Magnetism and Charge Order in the Honeycomb Lattice", Phys. Rev. Lett. 126, 107205 (2021).
      • F. Lange, S. Ejima, J. Fujimoto, T. Shirakawa, H. Fehske, S. Yunoki, and S. Maekawa, "Generation of Current Vortex by Spin Current in Rashba Systems", Phys. Rev. Lett. 126, 157202 (2021).

      2020

      • F. Lange, S. Ejima, T. Shirakawa, S. Yunoki, and H. Fehske, "Block-Lanczos density-matrix renormalization-group approach to spin transport in Heisenberg chains coupled to leads", J. Phys. Soc. Jpn. 89, 044601 (2020).
      • S. Ejima, T. Kaneko, F. Lange, S. Yunoki, and H. Fehske, "Photoinduced eta-pairing in one-dimensional Mott insulators", JPS Conf. Proc. 30, 01184 (2020).
      • H. Abdelsalam, W. O. Younis, V. A. Saroka, N. H. Teleb, S. Yunoki, and Q. Zhang, "Interaction of hydrated metals with chemically modified hexagonal boron nitride quantum dots: wastewater treatment and water splitting", Phys. Chem. Chem. Phys. 22, 2566 (2020).
      • N. C. Costa, K. Seki, S. Yunoki, and S. Sorella, "Phase diagram of the two-dimensional Hubbard-Holstein model", Communications Physics 3, 90 (2020).
      • T. Shirakawa, S. Miyakoshi, and S. Yunoki, "Photoinduced eta pairing in the Kondo lattice model", Phys. Rev. B 101, 174307 (2020).
      • K. Shinjo, S. Sota, S. Yunoki, and T. Tohyama, "Characterization of photoexcited states in the half-filled one-dimensional extended Hubbard model assisted by machine learning", Phys. Rev. B 101, 195136 (2020).
      • H. Abdelsalam, N. H. Teleb, B. Wang, S. Yunoki, and Q. Zhang, "The electronic, adsorption, and catalytic properties of Bi-, Sb-, and As-nanoclusters", Catalysis Today (2020).
      • K. Seki, T. Shirakawa, and S. Yunoki, "Symmetry-adapted variational quantum eigensolver", Phys. Rev. A 101, 052340 (2020).
      • K. Seki and S. Yunoki, "Thermodynamic properties of an S=1/2 ring-exchange model on the triangular lattice", Phys. Rev. B 101, 235115 (2020).
      • H. Ueda, K. Okunishi, K. Harada, R. Krcmar, A. Gendiar, S. Yunoki, and T. Nishino, "Finite-m scaling analysis of Berezinskii-Kosterlitz-Thouless phase transitions and entanglement spectrum for the six-state clock model", Phys. Rev. E 101, 062111 (2020).
      • R. Fujiuchi, T. Kaneko, K. Sugimoto, S. Yunoki, and Y. Ohta, "Superconductivity and charge density wave under a time-dependent periodic field in the one-dimensional attractive Hubbard model", Phys. Rev. B 101, 235122 (2020).
      • S. Ejima, T. Kaneko, F. Lange, S. Yunoki, and H. Fehske, "Photoinduced eta-pairing at finite temperatures", Phys. Rev. Research 2, 032008(R) (2020).
      • T. Kaneko, S. Yunoki, and A. J. Millis, "Charge stiffness and long-range correlation in the optically induced eta-pairing state of the one-dimensional Hubbard model", Phys. Rev. Research 2, 032027(R) (2020).
      • H. Ueda, K. Okunishi, S. Yunoki, and T. Nishino, "Corner transfer matrix renormalization group analysis of the two-dimensional dodecahedron model", Phys. Rev. E 102, 032130 (2020).
      • B. H. Kim, S. Sota, T. Shirakawa, S. Yunoki, and Y.-W. Son, "Proximate Kitaev system for an intermediate magnetic phase in in-plane magnetic fields", Phys. Rev. B 102, 140402(R) (2020).
      • K. Seki and S. Yunoki, "Emergence of a thermal equilibrium in a subsystem of a pure ground state by quantum entanglement", Phys. Rev. Research 2, 043087 (2020).
      • Y. Otsuka, K. Seki, S. Sorella, and S. Yunoki, "Dirac electrons in the squre-lattice Hubbard model with a d-wave pairing field: The chiral Heisenberg universality class revisited", Phys. Rev. B 102, 235105 (2020).
      • T. Tohyama, S. Sota, and S. Yunoki, "Spin dynamics in the t-t'-J model: Dynamical density-matrix renormalization group study", J. Phys. Soc. Jpn. 89, 124709 (2020).

      2019

      • H. Nishida, S. Miyakoshi, T. Kaneko, K. Sugimoto, and Y. Ohta, "Spin texture and spin current in excitonic phases of the two-band Hubbard model", Phys. Rev. B 99, 035119 (2019).
      • T. Sato, T. Shirakawa, and S. Yunoki, "Spin-orbit entangled excitonic insulator with quadrupole order", Phys. Rev. B 99, 075117 (2019).
      • S. Kitou, S. Kobayashi, T. Kaneko, N. Katayama, S. Yunoki, T. Nakamura, and H. Sawa, "Honeycomb lattice type charge density wave associated with interlayer Cu ions ordering in 1T-CuxTiSe2", Phys. Rev. B 99, 081111(R) (2019).
      • T. Kaneko, T. Shirakawa, S. Sorella, and S. Yunoki, "Photoinduced eta Pairing in the Hubbard Model", Phys. Rev. Lett. 122, 077002 (2019).
      • K. Seki, Y. Otsuka, S. Yunoki, and S. Sorella, "Fermi-liquid ground state of interacting Dirac fermions in two dimensions", Phys. Rev. B 99, 125145 (2019).
      • B.-H. Kim, K. Seki, T. Shirakawa, and S. Yunoki, "Topological property of a t2g5 system with a honeycomb lattice structure", Phys. Rev. B 99, 155135 (2019).
      • Y. Kawasugi, K. Seki, S. Tajima, J. Pu, T. Takenobu, S. Yunoki, H. M. Yamamoto, and R. Kato, "Two-dimensional ground-state mapping of a Mott-Hubbard system in a flexible field-effect device", Sci. Adv. 5, eaav7282 (2019).
      • K. Shinjo, K. Sasaki, S. Hase, S. Sota, S. Ejima, S. Yunoki, and T. Tohyama, "Machine learning phase diagram in the half-filled one-dimensional extended Hubbard model", J. Phys. Soc. Jpn. 88, 065001 (2019).
      • Q. Xie, J. Li, S. Ullah, R. Li, L. Eang, D. Li, Y. Li, S. Yunoki, and X.-Q. Chen, "Phononic Weyl points and one-way topologically protected nontrivial phononic surface arc states in noncentrosymmetric WC-type materials", Phys. Rev. B 99, 174306 (2019).
      • M. Khazaei, J. Wang, M. Estili, A. Ranjbar, S. Suehara, M. Arai, K. Esfarjani, and S. Yunoki, "Novel MAB phases and insights into their exfoliation into 2D MBenes", Nanoscale. 11, 11305 (2019).
      • R. Fujiuchi, T. Kaneko, Y. Ohta, and S. Yunoki, "Photoinduced electron-electron pairing in the extended Falicov-Kimball model", Phys. Rev. B 100, 045121 (2019).
      • M. Khazaei, A. Mishra,N. S. Venkataramanan, A. K. Singh, and S. Yunoki, "Recent advances in MXenes: From fundamentals to applications", Curr. Opin. Solid State Mater. Sci. 23, 164 (2019).
      • H. Watanabe, H. Seo, and S. Yunoki, "Mechanism of superconductivity and electron-hole doping asymmetry in κ-type molecular conductor", Nat. Commun. 10, 3167 (2019).
      • K. Nishiguchi, T. Shirakawa, H. Watanabe, R. Arita, and S. Yunoki, "Possible superconductivity induced by a large spin-orbit coupling in carrier doped Iridium oxide insulators: A weak coupling approach", J. Phys. Soc. Jpn. 88, 094701 (2019).
      • Y. Kawasugi, K. Seki, J. Pu, T. Takenobu, S. Yunoki, H. M. Yamamoto, and R. Kato, "Non-Fermi-liquid behavior and doping asymmetry in an organic Mott insulator interface", Phys. Rev. B 100, 115141 (2019).
      • X. Yin, C. S. Tang, S. Zeng, T. C. Asmara, P. Yang, M. A. Naradipa, P. E. Trevisanutto, T. Shirakawa, B. H. Kim, S. Yunoki, M. B. H. Breese, T. Venkatesan, A. T. S. Wee, A. Ariando, and A. Rusydi, "Quantum correlated plasmons and their tunability in undoped and doped Mott-insulator cuprates", ACS Photonics 6, 3281 (2019).
      • A. Masaki-Kato, S. Yunoki, and D. S. Hirashima, "Quantum Monte Carlo study of the superfluid density in quasi-one-dimensional systems of hard-core bosons: Effect of the suppression of phase slippage", Phys. Rev. B 100, 224515 (2019).
      • M. Khazaei, A. Ranjbar, Y. Liang, and S. Yunoki, "Electronic properties and applications of MXenes from ab initio calculations perspective", Chap. 14 in "2D Metal Carbides and Nitrides (MXenes): Structure, Properties and Applications", ed. by B. Anasori and Y. Gogotsi (Springer, 2019).

      2018

      • M. Khazaei, A. Ranjbar, K. Esfarjani, D. Bogdanovski, R. Dronskowski, and S. Yunoki, "Insights into exfoliation possibility of MAX phases to MXenes", Phys. Chem. Chem. Phys. 20, 8579 (2018).
      • M. Kusch, V. M. Katukuri, N. A. Bogdanov, B. Büchner, T. Dey, D. V. Efremov, J. E. Hamann-Borrero, B. H. Kim, M. Krisch, A. Maljuk, M. Moretti Sala, S. Wurmehl, G. Aslan-Cansever, M. Sturza, L. Hozoi, J. van den Brink, and J. Geck, "Observation of heavy spin-orbit excitons propagating in a nonmagnetic background: The case of (Ba,Sr)2YIrO6", Phys. Rev. B 97, 064421 (2018).
      • T. Kaneko, Y. Ohta, and S. Yunoki, "Exciton-phonon cooperative mechanism of the triple-q charge-density-wave and antiferroelectric electron polarization in TiSe2", Phys. Rev. B 97, 155131 (2018).
      • F. Zheng, Q. Zhang, Q. Meng, B. Wang, F. Song, S. Yunoki, and G. Wang, "First-principles study of native defects in bulk Sm2CuO4 and its (001) surface structure", J. Appl. Phys. 123, 161504 (2018).
      • F. Lange, S. Ejima, T. Shirakawa, S. Yunoki, and H. Fehske, "Spin transport through a spin-1/2 XXZ chain contacted to fermionic leads", Phys. Rev. B 97, 245124 (2018).
      • K. Sugimoto, S. Nishimoto, T. Kaneko, and Y. Ohta,, "Strong Coupling Nature of the Excitonic Insulator State in Ta2NiSe5", Phys. Rev. Lett. 120, 247602 (2018).
      • H. Gong, K. Kim, B. H. Kim, B. Kim, J. Kim, and B. I. Min, "Is the ground state of t2g4 double-perovskite Iridate Ba2YIrO6 magnetic or nonmagnetic", J. Magn. Magn. Mater. 454, 66 (2018).
      • M. Khazaei, V. Wang, C. Sevik, A. Ranjbar, M Arai, and S. Yunoki, "Electronic structures of iMAX phases and their two-dimensional derivatives: A family of piezoelectric materials", Phys. Rev. Materials 2, 074002 (2018).
      • Y. Otsuka, K. Seki, S. Sorella, and S. Yunoki, "Quantum criticality in the metal-superconductor transition of interacting Dirac fermions on a triangular lattice", Phys. Rev. B 98, 035126 (2018).
      • S. Sorella, K. Seki, O. O. Brovko, T. Shirakawa, S. Miyakoshi, S. Yunoki, and E. Tosatti, "Correlation-Driven Dimerization and Topological Gap Opening in Isotropically Strained Graphene", Phys. Rev. Lett. 121, 066402 (2018).
      • M. Kishimoto, K. Morita, Y. Matsubayashi, S. Sota, S. Yunoki, and T. Tohyama, "Ground state phase diagram of the Kitaev-Heisenberg model on a honeycomb-triangular lattice", Phys. Rev. B 98, 054411 (2018).
      • K. Seki, T. Shirakawa, and S. Yunoki, "Variational cluster approach to thermodynamic properties of interacting fermions at finite temperatures: A case study of the two-dimensional single-band Hubbard model at half filling", Phys. Rev. B 98, 205114 (2018).

      2017

      • H. Watanabe, H. Seo, and S. Yunoki, "Phase competition and superconductivity in κ-(BEDT-TTF)2 X: Importance of intermolecular Coulomb interactions", J. Phys. Soc. Jpn. 86, 033703 (2017).
      • Q. Zhang, G. Chen, and S. Yunoki, “Surface ferromagnetism in HfO2 inducded by excess oxygen”, Solid State Commun. 252, 33 (2017).
      • M. Babamoradi, S. Asgari, A. Ranjbar, R. V. Belosludov, and S. Yunoki, "Many-electron states of the N2 and N3 color centers in diamond: A first- principles and many-body study", Physica B 505, 17 (2017).
      • M. Khazaei, A. Ranjbar, M. Arai, T. Sasak, and S. Yunoki, "Electronic properties and applications of MXenes: a theoretical review”, J. Mater. Chem. C 5, 2488 (2017).
      • H. Sakakibara, S. W. Jang, H. Kino, M. J. Han, K. Kuroki, and T. Kotani, "Model-Mapped RPA for Determining the Effective Coulomb Interaction", J. Phys. Soc. Jpn. 86, 044714 (2017).
      • I. Santoso, W. Ku, T. Shirakawa, G. Neuber, X. Yin, M. Enoki, M. Fujita, R. Liang, T. Venkatesan, G. A. Sawatzky, A. Kotlov, S. Yunoki, M. Rübhausen, and A. Rusydi, “Unraveling local spin polarization of Zhang-Rice singlet in lightly hole-doped cuprates using high-energy optical conductivity”, Phys. Rev. B 95, 165108 (2017).
      • E. Kogan, K. Noda, and S. Yunoki, "Spin-anisotropic magnetic impurity in a Fermi gas: Integration of poor man's scaling equations", Phys. Rev. B 95, 165412 (2017).
      • M. Souri, B. H. Kim, J. H. Gruenewald, J. G. Connell, J. Thompson, J. Nichols, J. Terzic, B. I. Min, G. Cao, J. W. Brill, and A. Seo, "Optical signatures of spin-orbit excitation in bandwidth-controlled Sr2IrO4 epitaxial films via high-concentration Ca and Ba doping", Phys. Rev. B 95, 235125 (2017).
      • K. Seki and S. Yunoki, "Topological interpretation of the Luttinger theorem", Phys. Rev. B 96, 085124 (2017).
      • M. Y. Jeong, S. H. Chang, B. H. Kim, J.-H. Sim, A. Said, D. Casa, T. Gog, E. Janod, L. Cario, S. Yunoki, M. J. Han, and J. Kim, "Direct experimental observation of the molecular Jeff = 3/2 ground state in the lacunar spinel GaTa4Se8", Nature Communications 8, 782 (2017).
      • Y. Liang, M. Khazaei, A. Ranjbar, M. Arai, S. Yunoki, Y. Kawazoe, H. Weng, and Z. Fang, "Theoretical prediction of two-dimensional functionalized MXene nitrides as topological insulators", Phys. Rev. B 96, 195414 (2017).
      • T. Shirakawa, T. Tohyama, J. Kokalj, S. Sota, and S. Yunoki, "Ground-state phase diagram of the triangular lattice Hubbard model by the density-matrix renormalization group method", Phys. Rev. B 96, 205130 (2017).
      • K. Hamada, T. Kaneko, S. Miyakoshi, and Y. Ohta, "Excitonic insulator state of the extended Falicov-Kimball model in the cluster dynamical impurity approximation", J. Phys. Soc. Jpn. 86, 074709 (2017).
      • H. Ueda, K. Okunishi, R. Krcmar, A. Gendiar, S. Yunoki, and T. Nishino, "Critical behavior of the two-dimensional icosahedron model", Phys. Rev. E 96, 062112 (2017).
      • K. Pradhan and S. Yunoki, "Nanoclustering phase competition induces the resistivity hump in colossal magnetoresistive manganites", Phys. Rev. B 96, 214416 (2017).

      2016

      • Y. Otsuka, S. Yunoki, and S. Sorella, “Universal quantum criticality in metal-insulator transition of two-dimensional interacting Dirac electrons”, Phys. Rev. X 6, 011029 (2016).
      • J. S. Anderson, J. Melin, P. W. Ayers, "Using the general-purpose reactivity indicator: challenging examples", J. Mol. Model. 22, 57 (2016).
      • T. Yoshida, R. Peters, and N. Kawakami, "Restoration of topological properties at finite temperatures in a heavy-fermion system”, Phys. Rev. B 93, 045138 (2016).
      • K. Seki, T. Shirakawa, Q. Zhang, T. Li, and S. Yunoki, "Emergence of massless Dirac quasiparticles in correlated hydrogenated graphene with broken sublattice symmetry”, Phys. Rev. B 93, 155419 (2016).
      • M. Kim, B. H. Kim, and B. I. Min, "Insulating nature of Na2IrO3: Mott-type or Slater-type", Phys. Rev. B 93, 195135 (2016).
      • S. Ejima, F. H. L. Essler, F. Lange, and H. Fehske, "Ising tricriticality in the extended Hubbard model with bond dimerization", Phys. Rev. B 93, 235118 (2016).
      • T. Shirakawa and S. Yunoki, "Density matrix renormalization group study in energy space for a single-impurity Anderson model and an impurity quantum phase transition”, Phys. Rev. B 93, 205124 (2016).
      • M. Khazaei, A. Ranjbar, M.i Ghorbani-Asl, M. Arai, T. Sasaki, Y. Liang, and S. Yunoki, "Nearly free electron states in MXenes”, Phys. Rev. B 93, 205125 (2016).
      • R. Peters, T. Yoshida, H. Sakakibara, and N. Kawakami, "Coexistence of light and heavy surface states in a topological multiband Kondo insulator”, Phys. Rev. B 93, 235159 (2016).
      • K. Seki and S. Yunoki, "Brillouin-zone integration scheme for many-body density of states: Tetrahedron method combined with cluster perturbation theory”, Phys. Rev. B 93, 245115 (2016).
      • Y. Kawasugi, K. Seki, Y. Edagawa, Y. Sato, J. Pu, T. Takenobu, S. Yunoki, H. M. Yamamoto and R. Kato, "Electron–hole doping asymmetry of Fermi surface reconstructed in a simple Mott insulator", Nature Communications 7, 12356 (2016).
      • B. Kim, B. H. Kim, K. Kim, and B. I. Min, "Substrate-tuning of correlatied spin-orbit oxides revealed by optical conductivity calculations", Sci. Rep. 6, 27095 (2016).
      • A. Yamasaki, H. Fujiwara, S. Tachibana, D. Iwasaki, Y. Higashino, C. Yoshimi, K. Nakagawa, Y. Nakatani, K. Yamagami, H. Aratani, O. Kirilmaz, M. Sing, R. Claessen, H. Watanabe, T. Shirakawa, S. Yunoki, A. Naitoh, K. Takase, J. Matsuno, H. Takagi, A. Sekiyama, and Y. Saitoh, "Three-dimensional electronic structures and the metal-insulator transition in Ruddlesden-Popper iridates”, Phys. Rev. B 94, 115103 (2016).
      • S.-Y. Park, S.-H. Do, K.-Y. Choi, J.-H. Kang, D. Jang, B. Schmidt, M. Brando, B.-H. Kim, D.-H. Kim, N. P. Butch, S. Lee, J.-H. Park, and S. Ji, "Spin–orbit coupled molecular quantum magnetism realized in inorganic solid", Nature Communications 7, 12912 (2016).
      • K. Shinjo, S. Sota, S. Yunoki, K. Totsuka, and T. Tohyama, "Density-matrix renormalization group study of Kitaev–Heisenberg model on a triangular lattice", J. Phys. Soc. Jpn. 85, 114710 (2016).
      • M. Khazaei, A. Ranjbar, M. Arai, and S. Yunoki, "Topological insulators in the ordered double transition metals M2' M" C2MXenes (M'=Mo, W; M"= Ti, Zr, Hf)", Phys. Rev. B 94, 125152 (2016).
      • Q. Cui, J.-G. Cheng, W. Fan, A. E. Taylor, S. Calder, M. A. McGuire, J.-Q. Yan, D. Meyers, X. Li, Y. Q. Cai, Y. Y. Jiao, Y. Choi, D. Haskel, H. Gotou, Y. Uwatoko, J. Chakhalian, A. D. Christianson, S. Yunoki, J. B. Goodenough, and J.-S. Zhou, "Slater Insulator in Iridate Perovskites with Strong Spin-Orbit Coupling", Phys. Rev. Lett. 117, 176603 (2016).
      • B. H. Kim, T. Shirakawa, and S. Yunoki, "From a Quasimolecular Band Insulator to a Relativistic Mott Insulator in t2g5 Systems with a Honeycomb Lattice Structure", Phys. Rev. Lett. 117, 187201 (2016).
      • Y. Kawasugi, K. Seki, Y. Edagawa, Y. Sato, J. Pu, T. Takenobu, S. Yunoki, H. M. Yamamoto, and R. Kato, "Simultaneous enhancement of conductivity and Seebeck coefficient in an organic Mott transistor", Appl. Phys. Lett. 109, 233301 (2016).
      • S. Sinn, C. H. Kim, B. H. Kim, K. D. Lee, C. J. Won, J. S. Oh, M. Han, Y. J. Chang, N. Hur, H. Sato, B.-G. Park, C. Kim, H.-D. Kim, and T. W. Noh, "Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies", Sci. Rep. 6, 39544 (2016).

      2015

      • S. Hikino and S. Yunoki, "0–π Transition Driven by Magnetic Proximity Effect in a Josephson Junction", J. Phys. Soc. Jpn. 84, 024712 (2015).
      • Z. Zhong, L. Si, Q. Zhang, W.-G. Yin, S. Yunoki, and K. Held, "Giant Switchable Rashba Effect in Oxide Heterostructures", Adv. Mater. Interfaces 2, 1400445 (2015).
      • H. Watanabe, K. Seki, and S. yunoki, "A Variational Monte Carlo Study of Exciton Condensation", J. Phys.: Conf. Ser. 592, 012097 (2015).
      • W. Fan and S. yunoki, "Electronic and Magnetic Structure under Lattice Distortion in SrIrO3/SrTiO3 Superlattice: A First-Principles Study", J. Phys.: Conf. Ser. 592, 012139 (2015).
      • T. Sato, T. Shirakawa, and S. Yunoki, "Spin-orbit-induced exotic insulators in a three-orbital Hubbard model with (t2g)5 electrons", Phys. Rev. B 91, 125122 (2015).
      • S. Sota, S. Yunoki, and T. Tohyama, "Density-matrix renormalization group study of third harmonic generation in one-dimensional Mott insulator coupled with phonon", J. Phys. Soc. Jpn. 84, 054403 (2015).
      • H. Watanabe, K. Seki, and S. Yunoki, "Charge-density wave induced by combined electron-electron and electron-phonon interactions in 1T−TiSe2: A variational Monte Carlo study", Phys. Rev. B 91, 205135 (2015).
      • R. Peters and J. Bauer, "Local origin of the pseudogap in the attractive Hubbard model", Phys. Rev. B 92, 014511 (2015).
      • T. Tohyama, K. Tsutsui, M. Mori, S. Sota, and S. Yunoki, "Enhanced charge excitations in electron-doped cuprates by resonant inelastic x-ray scattering", Phys. Rev. B 92, 014515 (2015).
      • S. Hikino and S. Yunoki, "Magnetization induced by odd-frequency spin-triplet Cooper pairs in a Josephson junction with metallic trilayers", Phys. Rev. B 92, 024512 (2015).
      • Y. Tada and R. Peters, "Spin fluctuations and superconductivity in layered f-electron superlattices", Phys. Rev. B 92, 035129 (2015).
      • R. Peters and N. Kawakami, "Large and small Fermi-surface spin density waves in the Kondo lattice model", Phys. Rev. B 92, 075103 (2015).
      • M. Khazaei, M. Arai, T. Sasaki, A. Ranjbar, Y. Liang, and S. Yunoki, "OH-terminated two-dimensional transition metal carbides and nitrides as ultralow work function materials", Phys. Rev. B 92, 075411 (2015).
      • H. Weng, A. Ranjbar, Y. Liang, Z. Song, M. Khazaei, S. Yunoki, M. Arai, Y. Kawazoe, Z. Fang, and X. Dai, "Large-gap two-dimensional topological insulator in oxygen functionalized MXene", Phys. Rev. B 92, 075436 (2015).

      2014

      • G. Mazzola, S. Yunoki, and S. Sorella, "Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electric simulation", Nature Communications 5, 3487 (2014).
      • R. Peters and N. Kawakami, "Spin density waves in the Hubbard model: A DMFT approach", Phys. Rev. B 89, 155134 (2014).
      • H. Watanabe, T. Shirakawa, and S. Yunoki, "Theoretical study of insulating mechanism in multiorbital Hubbard models with a large spin-orbit coupling: Slater versus Mott scenario in Sr2IrO4", Phys. Rev. B 89, 165115 (2014).
      • J. Anderson and P. W. Ayers, "Resolving the nature of the reactive sites of phenylsulfinate (PhSO2-) with a single general-purpose reactivity indicator", Compt. Theor. Chem. 1043, 1 (2014).
      • T. C. Asmara, X. Wang, I. Santoso, Q. Zhang, T. Shirakawa, D. Qi, A. Kotlov, M. Motapothula, M. H. Breese, T. Venkatesan, S. Yunoki, M. Rübhausen, Ariando, and A. Rusydi, "Large spectral weight transfer in optical conductivity of SrTiO3 induced by intrinsic vacancies", J. Appl. Phys. 115, 213706 (2014).
      • T. Shirakawa and S. Yunoki, "Density matrix renormalization group study on a magnetic impurity in the honeycomb lattice", JPS Conf. Proc. 3, 012025 (2014).
      • Y. Otsuka, S. Yunoki, and S. Sorella, "Mott transition in the 2D Hubbard model with π-flux", JPS Conf. Proc. 3, 013021 (2014).
      • K. Seki, T. Shirakawa, Y. Sun, and S. Yunoki, "Temperature dependence of the optical conductivity in a half-filled Hubbard model: Mott-type Insulator vs Slater-type insulator", JPS Conf. Proc. 3, 014026 (2014).
      • K, Nishiguchi, H. Watanabe, and S. Yunoki, "Magnetism in Sr2IrO4: a weak coupling study", JPS Conf. Proc. 3, 015037 (2014).
      • T. Sato and H. Tsunetsugu, Doublon dynamics of the Hubbard model on a triangular lattice", Phys. Rev. B 90, 115114 (2014).
      • T. Shirakawa and S. Yunoki, "Block Lanczos density-matrix renormalization group method for general Anderson impurity models: Application to magnetic impurity problems in graphene", Phys. Rev. B 90, 195109 (2014).

      2013

      • S. Zhang, S. Yamagiwa, M. Okumura, and S. Yunoki "Kernel polynomial method on GPU", Int. J. Parallel Prog. 41, 59 (2013).
      • H. Watanabe, T. Shirakawa, and S. Yunoki, "Monte Carlo study of an unconventional superconducting phase in Iridium oxide Jeff = 1/2 Mott insulators induced by carrier doping", Phys. Rev. Lett. 110, 027002 (2013).
      • Y. Wang, B. Wang, Q. Zhang, D. Shi, S. Yunoki, F. Kong, and N. Xu, "Tunable electronic properties of ZnO nanowires and nanotubes under a transverse electric field", J. Appl. Phys. 113, 034301 (2013).
      • R. Shindou, S. Yunoki, and T. Momoi, "Dynamical spin structure factors of quantum spin nematic state", Phys. Rev. B 87, 054429 (2013).
      • I. Danshita and L. Mathey, "Counterflow superfluid of polaron pairs in Bose-Fermi mixtures in optical lattices", Phys. Rev. A 87, 021603(R) (2013).
      • A. Annadi, Q. Zhang, X. Renshaw Wang, N. Tuzla, K. Gopinadhan, W. M. Lu, A. Roy Barman, Z. Q. Liu, A. Srivastava, S. Saha, Y. L. Zhao, S. W. Zeng, S. Dhar, E. Olsson, B. Gu, S. Yunoki, S. Maekawa, H. Hilgenkamp, T. Venkatesan, and A. Ariando "Anisotropic two-dimensional electron gas at the LaAlO3/SrTiO3 (110) interface", Nature Communications 4, 1838 (2013).
      • S. Hikino and S. Yunoki, "Long-range spin current driven by superconducting phase difference in a Josephson junction with double layer ferromagnets", Phys. Rev. Lett. 110, 237003 (2013).
      • H. Watanabe, T. Shirakawa, and S. Yunoki, "A novel superconductivity in Ir oxides with a large spin-orbit coupling", J. Kor. Phys. Soc. 62, 1848 (2013).
      • Y. Otsuka, S. Yunoki, and S. Sorella, "Quantum Monte Carlo study of the half-filled Hubbard model on the honeycomb lattice", J. Phys.: Conf. Ser. 454, 012045 (2013).
      • H. Watanabe, T. Shirakawa, and S. Yunoki, "Variational Monte Carlo study for the insulating mechanism of Sr2IrO4: from the viewpoint of energy gain", J. Phys.: Conf. Ser. 454, 012047 (2013).
      • S. Zhang, S. Yamagiwa, and S. Yunoki, "A study of parallelizing O(N) Green-function-based Monte Carlo method for many fermions coupled with classical degrees of freedom", J. Phys.: Conf. Ser. 454, 012049 (2013).
      • A. Yamamoto and S. Yunoki, "Superfluidity of one-dimensional trapped fermionic optical lattices with spatially alternating interactions", J. Phys.: Conf. Ser. 454, 012067 (2013).
      • T. Shirakawa, H. Watanabe, and S. Yunoki, "Theoretical studies of a three-band Hubbard model with a strong spin-orbit coupling for 5d transition metal oxide Sr2IrO4", J. Phys.: Conf. Ser. 454, 012068 (2013).
      • Y. Sun, Z. Zhong, T. Shirakawa, C. Franchini, D. Li, Y. Li, S. Yunoki, and X.-Q. Chen, "Rocksalt SnS and SnSe: Native topological crystalline insulators", Phys. Rev. B 88, 235122 (2013).

      2012

      • S. Zhang, S. Yamagiwa, M. Okumura, and S. Yunoki, "Parallelizing Kernel Polynomial Method Applying Graphics Processing Units", Int. J. Network. Comp. 2, 41 (2012).
      • Y. Wang, B. Wang, Q. Zhang, D. Shi, S. Yunoki, F. Kong, and N. Xu, a, "A simple capacitor model and first-principles study of carbon-doped zigzag ZnO nanoribbons", Solid State Comm. 152, 534 (2012).
      • D. Yamamoto, I. Danshita, and C. A. R. Sa de Melo, "Dipolar bosons in triangular optical lattices: quantum phase transitions and anomalous hysteresis", Phys. Rev. A 85, 021601 (2012).
      • Y. Wang, B. Wang, Q. Zhang, J. Zhao, D. Shi, S. Yunoki, F. Kong, and N. Xu, "Tunable deformation and electronic properties of single-walled ZnO nanotubes under a transverse electric field", J. Appl. Phys. 111, 073704 (2012).
      • I. Danshita and A. Polkovnikov, "Quantum phase slips in one-dimensional superfluids in a periodic potential", Phys. Rev. A 85, 023638 (2012).
      • S. Hikino, M. Mori, W. Koshibae, and S. Maekawa, "Towards precise measurement of oscillatory domain wall by ferromagnetic Josephson junction", Appl. Phys. Lett.100, 152402 (2012).
      • S. Hikino and S. Yunoki, "Spin Hall effect in a superconductor/normal metal junction", Physics Procedia 27, 84 (2012).
      • K. Kobayashi, M. Okumura, Y. Ota, S. Yamada, and M. Machida, "Nontrivial Haldane phase of an atomic two-component Fermi gas trapped in a 1D optical lattice", Phys. Rev. Lett. 109, 235302 (2012).
      • T. Saito, I. Danshita,T. Ozaki, and T. Nikuni, "Detecting the superfluid critical momentum of Bose gases in optical lattices through dipole oscillations", Phys. Rev. A 86, 023623 (2012).
      • D. Yamamoto, A. Masaki, and I. Danshita, "Quantum phases of hardcore bosons with long-range interactions on a square lattice", Phys. Rev. B 86, 054516 (2012).
      • Q. Zhang, S. Dong, B. Wang, and S. Yunoki "Strain-engineered magnetic order in (LaMnO3)n/(SrMnO3)2n superlattices", Phys. Rev. B 86, 094403 (2012).
      • S. Dong, Q. Zhang, S. Yunoki, J.-M. Liu, and E. Dagotto, "Magnetic and orbital order in (RMnO3)n/(AMnO3)2n superlattices studied via a double-exchange model with strain", Phys. Rev. B 86, 205121 (2012).
      • H. Watanabe, T. Shirakawa, and S. Yunoki, "Variational Monte Carlo study for superconductivity in multi-orbital systems", J. Phys.: Conf. Ser. 400, 022134 (2012).
      • V. Badaut, T. Shirakawa, and S. Yunoki, "A Haldane-Anderson impurity model study for the spin- and charge-states of iron in heme proteins", J. Phys.: Conf. Ser. 400, 032006 (2012).
      • G. Chen, Q. Zhang, X. Gong, and S. Yunoki, "d0 ferromagnetic surface in HfO2", J. Phys.: Conf. Ser. 400, 032008 (2012).
      • T. Shirakawa, H. Watanabe, and S. Yunoki, "Theoretical study of Jeff = 1/2 Mott insulator in Ir oxides: a strong spin-orbit coupling vs local electron correlations", J. Phys.: Conf. Ser. 400, 032088 (2012).
      • Q. Zhang and S. Yunoki, "A first-principles study for electronic and magnetic properties of LaFeO3/LaCrO3 superlattices", J. Phys.: Conf. Ser. 400, 032126 (2012).
      • S. Sorella, Y. Otsuka, and S. Yunoki, "Absence of a Spin Liquid Phase in the Hubbard Model on the Honeycomb Lattice", Scientific Reports 2, 992 (2012).
      • S. Zhang, S. Yamagiwa, and S. Yunoki "GPU-Based Parallelization of Kernel Polynomial Method for Solving LDOS", 2012 SC Companion: High Performance Computing, Networking Storage and Analysis, 633 (2012).
      • L. Wang and S.-G. Chung, “Entanglement Perturbation Theory for Antiferromagnetic Heisenberg Spin Chains”, J. Phys. Soc. Jpn. 81, 114712 (2012).
      • H. Fujishima, M. Okumura, M. Mine, and T. Yajima, "Interference pattern formation between bound solitons and Radiation in momentum space: possible detection of radiation from bound solitons with Bose-Einstein condensate of neutral atoms", J. Phys. Soc. Jpn. 81, 104003 (2012).

      2011

      • S. Hikino, M. Mori, S. Takahashi, and S. Maekawa, "Microwave-induced supercurrent in a ferromagnetic Josephson junction", Supercond. Sci. Technol. 24, 024008 (2011).
      • D. Yamamoto and I. Danshita, "Stability of superflow in supersolid phases of lattice bosons with dipole-dipole interaction", J. Phys.: Conf. Ser. 273, 012020 (2011).
      • L. Wang, T. Shirakawa, H. Watanabe, and S. Yunoki, "A numerical study for two-dimensional spin 1/2 antiferromagnets: a generalization of Entanglement Perturbation Theory to two-dimensional systems", J. Phys.: Conf. Ser. 273, 012131 (2011).
      • H. Watanabe, T. Shirakawa, and S. Yunoki, "Variational Monte Carlo study of two-dimensional strong spin-orbit coupling system: Novel Mott insulating state in Ir oxide", J. Phys.: Conf. Ser. 273, 012143 (2011).
      • T. Shirakawa, H. Watanabe, and S. Yunoki, "Variational cluster approximation study of Mott transition with strong spin-orbit coupling", J. Phys.: Conf. Ser. 273, 012148 (2011).
      • M. Okumura, S. Yamada, M. Machida, and H. Aoki, "Phase-separated ferromagnetism in a spin-imbalanced system of Fermi atoms loaded in an optical ladder: A density-matrix renormalization-group study", Phys. Rev. A 83, 031606 (2011).
      • S. Zhang, S. Yamagiwa, M. Okumura, and S. Yunoki, "Performance Acceleration of Kernel Polynomial Method Applying Graphics Processing Units", IPDPS/APDCM11, p. 564-571 (2011).
      • M. J. Calderon, S. Liang, R. Yu. J. Salafranca, S. Dong, S. Yunoki, L. Brey, A. Moreo, and E. Dagotto, "Magnetoelectric coupling at the interface of BiFeO3/La0.7Sr0.3MnO3 multilayers", Phys. Rev. B 84, 024422 (2011).
      • S. Hikino and S. Yunoki, "Anomalous enhancement of spin Hall conductivity in a superconductor/normal-metal junction", Phys. Rev. B 84, 020512(R) (2011).
      • Y. Zhu, S. Dong, Q. Zhang, S. Yunoki, Y. Wang, and J.-M. Liu, "Tailoring magnetic orderd in (LaFeO3)n-(LaCrO3)n superlattices model", J. Appl. Phys. 110, 053916 (2011).
      • R. Shindou, S. Yunoki, and T. Momoi, "Projective studies of spin nematics in a quantum frustrated ferromagnet", Phys. Rev. B 84, 134414 (2011).
      • Y. Sun, X.-Q. Chen, C. Franchini, D. Li, S. Yunoki, Y. Li, and Z. Fang, "Strain-driven onset of nontrivial topological insulating states in Zintl Sr2X compounds (X=Pb, Sn)", Phys. Rev. B 84, 165127 (2011).
      • Q. Zhang, S. Hikino, and S. Yunoki, "First-principles study of the spin-mixing conductance in Pt/Ni81Fe19 junctions", Appl. Phys. Lett. 99, 172105 (2011).
      • G. Zhang, S. Dong, Z. Yan, Y. Guo, Q. Zhang, S. Yunoki, E. Dagotto, and J.-M. Liu, "Multiferroic properties of CaMn2O12", Phys. Rev. B 84, 174413 (2011).
      • A. Hu, L. Mathey, E. Tiesinga, I. Danshita, C. J. Williams, and C. W. Clark, "Detecting paired and counterflow superfluidity via dipole oscillations", Phys. Rev. A 84, 041609 (2011).
      • S. Hikino, M. Mori, S. Takahashi, and S. Maekawa, “Composite Excitation of Josephson Phase and Spin Waves in Josephson Junctions with Ferromagnetic Insulator”, J. Phys. Soc. Jpn. 80, 074707 (2011).
      • H. Watanabe, T. Shirakawa, and S. Yunoki, "Spin-orbit-induced Mott insulator in 5d electron systems", J. Phys. Soc. Jpn. 80, SB006 (2011).
      • T. Shirakawa, H. Watanabe, and S. Yunoki, "Microscopic study of electronic and magnetic properties for Ir oxide", J. Phys. Soc. Jpn. 80, SB010 (2011).
      • A. Yamamoto, S. Yamada, M. Okumura, and M. Machida, “Spectral properties of trapped one-dimensional ultracold fermions loaded on optical lattices”, Phys. Rev. A 84, 043642 (2011).
      • I. Danshita and A. Polkovnikov, "Superfluid-to-Mott-insulator transition in the one-dimensional Bose-Hubbard model for arbitrary integer filling factors", Phys. Rev. A 84, 063637 (2011).
      • S. Dong, Q. Zhang, S. Yunoki, J.-M. Liu, and E. Dagotto, "Ab initio study of the intrinsic exchange bias at the SrRuO3/SrMnO3interface", Phys. Rev. B 84, 224437 (2011).

      2010

      • Hiroshi Watanabe, Tomonori Shirakawa, and Seiji Yunoki, "Microscopic Study of a Spin-Orbit-Induced Mott Insulator in Ir Oxides", Phys. Rev. Lett. 105, 216410 (2010).
      • Yan Sun, Xing-Qiu Chen, Seiji Yunoki, Diangzhong Li, and Yiyi Li, "New Family of Three-Dimensional Topological Insulators with Antiperovskite Structure", Phys. Rev. Lett. 105, 216406 (2010).
      • Satoshi Nishimoto and Tomonori Shirakawa, "Finite-size scaling of correlation functions in the one-dimensional Anderson-Hubbard model", Phys. Rev. B 81, 113105 (2010).
      • Hiroshi Watanabe and Masao Ogata, "Crossover from dilute-Kondo system to heavy-fermion system", Phys. Rev. B 81, 113111 (2010).
      • Jihong Hu, Jingjing Wang, Gao Xianlong, Masahiko Okumura, Ryo Igarashi, Susumu Yamada, Masahiko Machida, "Ground-state properties of the one-dimensional attractive Hubbard model with confinement: A comparative stud", Phys. Rev. B 82, 014202 (2010).
      • Shuai Dong, Seiji Yunoki, Xiaotian Zhang Cengiz Sen, J.-M. Liu, and Elbio Dagotto, "Highly anisotropic resistivities in the double-exchange model for strained manganites", Phys. Rev. B 82, 035118 (2010).
      • Ippei Danshita and Anatoli Polkovnikov, "Accurate numerical verification of the instanton method on macroscopic quantum tunneling: dynamics of phase slips", Phys. Rev. B 82, 094304 (2010).
      • Ippei Danshita and Daisuke Yamamoto, "Critical velocity of flowing supersolids of dipolar Bose gases in optical lattices", Phys. Rev. A 82, 013645 (2010).

      2009

      • Rong Yu, Seiji Yunoki, Shuai Dong, and Elbio Dagotto, "Electronic and magnetic properties of RMnO3/AMnO3 heterostructures", Phys. Rev. B 80, 125115 (2009).
      • Shuai Dong, Kunihiko Yamauchi, Seiji Yunoki, Rong Yu, Shuhua Liang, Adriana Moreo, J.-M. Liu, Silvia Picozzi, and Elbio Dagotto, "Exchange Bias Driven by the Dzaloshinskii-Moriya Interaction and Ferroelectric Polarization at G-Type Antiferromagnetic Perovskite Interfaces", Phys. Rev. Lett. 103, 127201 (2009).
      • Shuai Dong, Rong Yu, Seiji Yunoki, J.-M. Liu, and Elbio Dagotto, "Double-exchange model study of multiferroic RMnO3 perovskites", Eur. Phys. J. B 71, 339 (2009).

      2008

      • S. Yunoki, E. Dagotto, S. Costamagna, and J. A. Riera, "Large magnetoresistance in a manganite spin tunnel junction using LaMnO3 as the insulating barrier", Phys. Rev. B 78, 024405 (2008).
      • Shuai Dong, Rong Yu, Seiji Yunoki, J.-M. Liu, and Elbio Dagotto, "Ferromagnetic tendency at the surface of CE-type charge-ordered manganites", Phys. Rev. B 78, 064414 (2008).
      • Shuai Dong, Rong Yu, Seiji Yunoki, J.-M. Liu, and Elbio Dagotto, "Origin of multiferroic spiral spin order in the RMnO3 perovskites", Phys. Rev. B 78, 155121 (2008).
      • Shuai Dong, Rong Yu, Seiji Yunoki, Gonzalo Alvarez, J.-M. Liu, and Elbio Dagotto, "Magnetism, conductivity, and orbital order in (LaMnO3)2n/(SrMnO3)n superlattices", Phys. Rev. B 78, 201102 (2008).
      • Ivan Gonzalez, Satoshi Okamoto, Seiji Yunoki, Adriana Moreo, and Elbio Dagotto, "Charge transfer in heterostructures of strongly correlated materials", J. Phys.: Condens. Matter 20, 264002 (2008).
      • Elbio Dagotto, Seiji Yunoki, Cengiz Sen, Gonzalo Alvarez, and Adriana Moreo, "Recent developments in the theoretical study of phase separation in manganites and underdoped cuprates", J. Phys.: Condens. Matter 20, 434224 (2008).