219 citations · 1.3k across the 30 of their papers we have counts for
30 papers
Theoretical study of superconductivity in freestanding infinite-layer nickelate membranes under pressure: mitigation of excess correlation enhances
Mahiru Seki, Reo Kono, Naotaka Tanaka +5
We theoretically investigate a freestanding membrane of infinite-layer nickelate NdSrNiO under pressure by constructing a seven-orbital effective model based…
Hierarchical structure of primary and hybridization-induced superconducting correlations in bilayer nickelates
Hiroshi Watanabe, Hirofumi Sakakibara, Kazuhiko Kuroki
High-pressure superconductivity in the bilayer nickelate LaNiO, with a transition temperature approaching 80 K, has stimulated intense debate regarding its microscopic…
Theoretical proposal of superconductivity in hole-doped reduced bilayer nickelate La3Ni2O6: a manifestation of orbital-space bilayer model with incipient bands
Shu Kamiyama, Reo Kohno, Yuto Hoshi +4
A correspondence exists between the multi-orbital Hubbard model and the bilayer Hubbard model, in which superconductivity is optimized in an incipient-band regime in both cases. In…
Theoretical study on ambient pressure superconductivity in LaNiO thin films : structural analysis, model construction, and robustness of -wave pairing
Kensei Ushio, Shu Kamiyama, Yuto Hoshi +4
We theoretically study ambient pressure superconductivity in thin films of LaNiO. We construct model Hamiltonians adopting the crystal structure theoretically determine…
Theoretical study of the crystal structure of the bilayer nickel oxychloride SrNiOCl and analysis of possible unconventional superconductivity
Masayuki Ochi, Hirofumi Sakakibara, Hidetomo Usui +1
The discovery of superconductivity under high pressure with exceeding 80 K in a bilayer nickelate LaNiO has led to a strong desire to realize similar high p…
Theoretical study on the possibility of high s-wave superconductivity in the heavily hole-doped infinite layer nickelates
Hirofumi Sakakibara, Ryota Mizuno, Masayuki Ochi +2
We theoretically propose a possibility of realizing high superconductivity having -wave symmetry in the heavily hole-doped infinite layer nickelates LaSrNiO…
Pair correlations of the hybridized orbitals in a ladder model for the bilayer nickelate LaNiO
Masataka Kakoi, Tatsuya Kaneko, Hirofumi Sakakibara +2
To clarify the nature of high-temperature superconductivity in the bilayer nickelate LaNiO under pressure, we investigate, using the density-matrix renormalization grou…
Pair correlations in the two-orbital Hubbard ladder: Implications on superconductivity in the bilayer nickelate LaNiO
Tatsuya Kaneko, Hirofumi Sakakibara, Masayuki Ochi +1
Motivated by high-temperature superconductivity in pressurized LaNiO, we investigate the pair correlations in the two-orbital Hubbard ladder, which consists of the near…
Theoretical analysis on the possibility of superconductivity in a trilayer Ruddlesden-Popper nickelate LaNiO under pressure and its experimental examination: comparison with LaNiO
Hirofumi Sakakibara, Masayuki Ochi, Hibiki Nagata +9
We study the possibility of superconductivity in a trilayer Ruddlesden-Popper nickelate LaNiO under pressure both theoretically and experimentally, making comparison…
Possible high Superconductivity in LaNiO under High Pressure through Manifestation of a Nearly-Half-Filled Bilayer Hubbard Model
Hirofumi Sakakibara, Naoya Kitamine, Masayuki Ochi +1
Inspired by a recent experiment showing that LaNiO exhibits high superconductivity under high pressure, we theoretically revisit the possibility of superconductiv…
Monte Carlo study of cuprate superconductors in a four-band - model: Role of orbital degrees of freedom
Hiroshi Watanabe, Tomonori Shirakawa, Kazuhiro Seki +4
Understanding the complex phase diagram of cuprate superconductors is a long-standing challenging problem. Recent studies have shown that orbital degrees of freedom, both Cu …
Unified description of cuprate superconductors using four-band - model
Hiroshi Watanabe, Tomonori Shirakawa, Kazuhiro Seki +4
In the 35 years since the discovery of cuprate superconductors, we have not yet reached a unified understanding of their properties, including their material dependence of the supe…
Bond-length distributions classified by coordination environments
Motonari Sawada, Ryoga Iwamoto, Takao Kotani +1
We have analyzed bond-length distributions between cations and anions for crystal structures in the crystallographic open database (www.crystallography.net/cod/). The distributions…
Model construction and a possibility of cuprate-like pairing in a new d9 nickelate superconductor (Nd,Sr)NiO2
Hirofumi Sakakibara, Hidetomo Usui, Katsuhiro Suzuki +3
Effective models are constructed for a newly discovered superconductor (Nd,Sr)NiO2, which has been considered as a possible nickelate analogue of the cuprates owing to the d9 elect…
A finite electric-field approach to evaluate the vertex correction for the screened Coulomb interaction in the quasiparticle self-consistent GW method
Hirofumi Sakakibara, Takao Kotani, Masao Obata +1
We apply the quasiparticle self-consistent GW method (QSGW) to slab models of ionic materials, LiF, KF, NaCl, MgO, and CaO, under electric field. Then we obtain the optical dielect…
Model-mapped random phase approximation to evaluate superconductivity in the fluctuation exchange approximation from first principles
Hirofumi Sakakibara, Takao Kotani
We have applied the model-mapped RPA [H. Sakakibara et al., J. Phys. Soc. Jpn. 86, 044714 (2017)] to the cuprate superconductors La2CuO4 and HgBa2CuO4, resulting two-orbital Hubbar…
Model-mapped RPA for determining the effective Coulomb interaction
Hirofumi Sakakibara, Seung Woo Jang, Hiori Kino +3
We present a new method to obtain interaction part of a model Hamiltonian from the result of the first-principles calculation. The effective interaction contained in the model is d…
Direct theoretical evidence for weaker correlations in electron-doped and Hg-based hole-doped cuprates
Seung Woo Jang, Hirofumi Sakakibara, Hiori Kino +3
Many important questions for high- cuprates are closely related to the insulating nature of parent compounds. While there has been intensive discussion on this issue, all argu…
Coexistence of light and heavy surface states in a topological multi-band Kondo insulator
Robert Peters, Tsuneya Yoshida, Hirofumi Sakakibara +1
We analyze the impact of strong correlations on the surface states of a three-dimensional topological Kondo insulator. An important observation is that correlations are strongly in…
Orbital mixture effect on the Fermi surface- correlation in the cuprate superconductors --- bilayer vs single layer
Hirofumi Sakakibara, Katsuhiro Suzuki, Hidetomo Usui +6
By constructing two-orbital models from first principles, we have obtained a systematic correlation between the Fermi surface warping and the evaluated …
Theoretical expectation of large Seebeck effect in PtAs and PtP
Kouta Mori, Hidetomo Usui, Hirofumi Sakakibara +1
Motivated by a recent observation of good thermoelectric properties in %a %pyrite material PtSb, we theoretically study related pyrites %materials in an attempt to %find a %bet…
Two-orbital view on the origin of the material dependence of Tc in the single-layer cuprates
Hirofumi Sakakibara, Hidetomo Usui, Kazuhiko Kuroki +2
Using the dx2-y2+dz2 two orbital model of the high Tc cuprates obtained from the first-principle calculation, we show that the material dependence of the Fermi surface shape can be…
Material Optimization for Fermi Surface Shape Control of Tl-based Cuprate Superconductors
Satoaki Miyao, Hirofumi Sakakibara, Isao Maruyama +2
To show an optimization method of element substitution for cuprate superconductors, we investigate Fermi surface shape of TlR2A2Cu3O9 with R=La, Y, and A=Li, Na, K, Rb, Cs. We adop…
Pudding-mold type band in a potential thermoelectric material CuAlO : comparison with NaCoO
Kouta Mori, Hirofumi Sakakibara, Hidetomo Usui +1
A potential thermoelectric material CuAlO is theoretically studied. We first construct a model Hamiltonian of CuAlO based on the first principles band calculation, and calc…