Department of Physics, Graduate School of Science, Osaka University

1-1 Machikaneyama-cho, Toyonaka, Osaka 560-0043, Japan

Office: Science Building H-614

in English / in Japanese

- Condensed matter physics by means of first-principles calculation
- Development of wave function theory (transcorrelated method) for solids
- Strongly correlated electron systems
- Thermoelectric effects
- Topological phases

- Sep. 2015 - present: Assistant Professor, Department of Physics, Osaka University (Prof. Kazuhiko Kuroki)
- Apr. 2014 - Aug. 2015: Postdoctoral Researcher, RIKEN CEMS (Dr. Ryotaro Arita)
- Mar. 2014: PhD, Department of Physics, The University of Tokyo (Prof. Shinji Tsuneyuki)
- Mar. 2011: MSci, Department of Physics, The University of Tokyo (Prof. Shinji Tsuneyuki)
- Mar. 2009: BSci, Department of Physics, The University of Tokyo

- Mar. 2018: Young Scientist Award of the Physical Society of Japan (Division 11) "Development of first-principles wave function theory for solid-state electronic structures"
- Feb. 2018: Kenichi Fukui Encouragement Award

"First-principles study of LaOPbBiS

arXiv:1906.11505 (2019).

"Comparative first-principles study of antiperovskite oxides and nitrides as thermoelectric material: Multiple Dirac cones, low-dimensional band dispersion, and high valley degeneracy"

38. N. Hirayama,

"Theoretical study of fluorine doping in layered LaOBiS

37. T. Nishimura, H. Sakai, H. Mori, K. Akiba, H. Usui,

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

Phys. Rev. Lett. 122, 226601 (2019). Press release (in Japanese)

36.

"Effective interaction for vanadium oxyhydrides Sr

Phys. Rev. B 99, 155143 (2019).

35. H. Usui,

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

Phys. Rev. Mater. 3, 045002 (2019).

34. R. Matsumoto, M. Nagao,

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

J. Appl. Phys. 125, 075102 (2019).

33. R. Noguchi, T. Takahashi, K. Kuroda,

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

Nature 566, 518 (2019). Press release (in Japanese)

"Synthesis and Physical Properties of Layered Copper Oxytellurides Sr

J. Mater. Chem. C 6, 12260 (2018).

31. H. Masuda, H. Sakai, M. Tokunaga,

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

Phys. Rev. B 98, 161108(R) (2018).

30. M. Koshino, N. F. Q. Yuan, T. Koretsune,

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

Phys. Rev. X 8, 031087 (2018).

29.

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

Phys. Rev. B 98, 081102(R) (2018).

28.

"Thermoelectric performance of materials with Cu

Phys. Rev. Mater. 2, 085401 (2018).

27. J.-Q. Yan,

"Magnetic order of Nd

J. Phys.: Condens. Matter. 30, 135801 (2018).

26. Kenta Kuroda,

"Experimental Determination of the Topological Phase Diagram in Cerium Monopnictides"

Phys. Rev. Lett. 120, 086402 (2018). Press release (in Japanese)

25. T. Yamamoto, K. Shitara, S. Kitagawa, A. Kuwabara, M. Kuroe, K. Ishida,

"Selective Hydride Occupation in BaVO

Chem. Mater. 30, 1566 (2018).

24. K. Suekuni, C. H. Lee, H. I. Tanaka, E. Nishibori, A. Nakamura, H. Kasai, H. Mori, H. Usui,

"Retreat from Stress: Rattling in a Planar Coordination"

Adv. Mater. 30, 1706230 (2018). Press release (in Japanese)

23. 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,

"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).

"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).

21. R. Mizuno,

"DMFT Study on the Electron-hole Asymmetry of the Electron Correlation Strength in the High

J. Phys. Soc. Jpn. 86, 114706 (2017).

20. Y. Mizuguchi, Y. Hijikata, T. Abe, C. Moriyoshi, Y. Kuroiwa, Y. Goto, A. Miura, S. Lee, S. Torii, T. Kamiyama, C. H. Lee,

"Crystal structure, site selectivity, and electronic structure of layered chalcogenide LaOBiPbS

EPL 119, 26002 (2017).

19. K. Kuroda, T. Tomita, M.-T. Suzuki, C. Bareille, A. A. Nugroho, P. Goswami,

"Evidence for magnetic Weyl fermions in a correlated metal"

Nature Mater. 16, 1090 (2017). Press release (in Japanese)

18. S. Okamoto,

"Localized-itinerant dichotomy and unconventional magnetism in SrRu

Sci. Rep. 7, 11742 (2017).

17. T. Machida, Y. Kohsaka, K. Iwaya, R. Arita, T. Hanaguri, R. Suzuki,

"Orbital-dependent quasiparticle scattering interference in 3

Phys. Rev. B 96, 075206 (2017).

16. H. Mori, H. Usui,

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

Phys. Rev. B 96, 085113 (2017).

15. M.-T. Suzuki, T. Koretsune,

"Cluster multipole theory for anomalous Hall effect in antiferromagnets"

Phys. Rev. B 95, 094406 (2017).

14.

"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)

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

Phys. Rev. Lett. 117, 247001 (2016). [* equally contributed]

12.

"Strong Bilayer Coupling Induced by the Symmetry Breaking in the Monoclinic Phase of BiS

J. Phys. Soc. Jpn. 85, 094705 (2016).

11. L. Huang, T. M. McCormick,

"Spectroscopic evidence for a type II Weyl semimetallic state in MoTe

Nature Mater. 15, 1155 (2016).

10.

"Strain-induced topological transition in SrRu

Phys. Rev. B 93, 195149 (2016).

9.

"Iterative diagonalization of the non-Hermitian transcorrelated Hamiltonian using a plane-wave basis set: Application to

J. Chem. Phys. 144, 104109 (2016).

"Temperature-Induced Lifshitz Transition in WTe

Phys. Rev. Lett. 115, 166602 (2015).

7. W. Tian, C. Svoboda,

"High antiferromagnetic transition temperature of a honeycomb compound SrRu

Phys. Rev. B 92, 100404(R) (2015).

6. R. Akashi,

"Two-Dimensional Valley Electrons and Excitons in Noncentrosymmetric 3

Phys. Rev. Appl. 4, 014002 (2015).

5.

"Robust flat bands in

Phys. Rev. B 91, 165137 (2015).

4.

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

Chem. Phys. Lett. 621, 177 (2015).

"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).

2.

"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).

"Efficient algorithm of the transcorrelated method for periodic systems"

J. Chem. Phys. 136, 094108 (2012).

"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).

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

J. Phys. Soc. Jpn. 88, 041010 (2019).

1.

"Transcorrelated method: wave function theory for solid-state calculations"

Kotai-Butsuri 52, 715 (2017). (in Japanese)

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