Nematicity-enhanced superconductivity in systems with a non-Fermi liquid behavior

We explore the interplay between nematicity~(spontaneous breaking of the sixfold rotational symmetry), superconductivity, and non-Fermi liquid behavior in partially flat-band models on the triangular lattice. A key result is that the nematicity (Pomeranchuk instability), which is driven by many-body effect and stronger in flat-band systems, enhances superconducting transition temperature in a systematic manner on the $T_{\rm c}$ dome. There, a $s_{x^2+y^2} - d_{x^2-y^2} - d_{xy}$-wave symmetry, in place of the conventional $d_{x^2-y^2}$-wave, governs the nematicity-enhanced pairing with a sharp rise in the $T_{\rm c}$ dome on the filling axis. When the sixfold symmetry is spontaneously broken, the pairing becomes more compact in real space than in the case when the symmetry is enforced. These are accompanied by a non-Fermi character of electrons in the partially flat bands with many-body interactions.Comment: 6+18 pages, 5+26 figure

動的平均場理論のダイアグラマティックな拡張による高温超伝導の研究

学位の種別: 課程博士審査委員会委員 : （主査）東京大学教授 川島 直輝, 東京大学教授 藤森 淳, 東京大学准教授 羽田野 直道, 東京大学准教授 加藤 雄介, 東京大学准教授 杉野 修University of Tokyo(東京大学

Nickelate superconductors -- a renaissance of the one-band Hubbard model

Following the discovery of superconductivity in the cuprates and the seminal work by Anderson, the theoretical efforts to understand high-temperature superconductivity have been focusing to a large extent on a simple model: the one-band Hubbard model. However, superconducting cuprates need to be doped, and the doped holes go into the oxygen orbitals. This requires a more elaborate multi-band model such as the three-orbital Emery model. The recently discovered nickelate superconductors appear, at first glance, to be even more complicated multi-orbital systems. Here, we analyse this multi-orbital system and find that it is instead the nickelates which can be described by a one-band Hubbard model, albeit with an additional electron reservoir and only around the superconducting regime. Our calculations of the critical temperature Tc are in good agreement with experiment, and show that optimal doping is slightly below the 20% Sr-doping of Ref. 11. Even more promising than 3d nickelates are 4d palladates.Comment: 6+10 pages. In the second (arXiv) version we also compare to the experimental phase diagram [arXiv:2003.08506] in the Supplementary Information Section S.6; in the final (npj) version also the experimental phase diagram [arXiv:2004.11281] is mentione

Optimizing superconductivity: from cuprates via nickelates to palladates

Motivated by cuprate and nickelate superconductors, we perform a comprehensive study of the superconducting instability in the single-band Hubbard model. We calculate the spectrum and superconducting transition temperature $T_{\rm c}$ as a function of filling and Coulomb interaction for a range of hopping parameters, combining first principles calculations with the dynamical vertex approximation. We find the sweet spot for high $T_{\rm c}$ to be at intermediate coupling, moderate Fermi surface warping, and low hole doping. Neither nickelates nor cuprates are close to this optimum. Instead, we identify some palladates, notably RbSr$_2$PdO$_3$ and $A^{\prime}_2$PdO$_2$Cl$_2$ ($A^{\prime}$=Ba$_{0.5}$La$_{0.5}$), to be virtually optimal, while others, such as NdPdO$_2$, are too weakly correlated.Comment: 7+10 pages, 5+11 figure

Phase diagram of nickelate superconductors calculated by dynamical vertex approximation

We review the electronic structure of nickelate superconductors with and without effects of electronic correlations. As a minimal model, we identify the one-band Hubbard model for the Ni 3dx2−y2 orbital plus a pocket around the A-momentum. The latter, however, merely acts as a decoupled electron reservoir. This reservoir makes a careful translation from nominal Sr-doping to the doping of the one-band Hubbard model mandatory. Our dynamical mean-field theory calculations, in part already supported by the experiment, indicate that the Γ pocket, Nd 4f orbitals, oxygen 2p, and the other Ni 3d orbitals are not relevant in the superconducting doping regime. The physics is completely different if topotactic hydrogen is present or the oxygen reduction is incomplete. Then, a two-band physics hosted by the Ni 3dx2−y2 and 3d3z2−r2orbitals emerges. Based on our minimal modeling, we calculated the superconducting Tc vs. Sr-doping x phase diagram prior to the experiment using the dynamical vertex approximation. For such a notoriously difficult to determine quantity as Tc, the agreement with the experiment is astonishingly good. The prediction that Tc is enhanced with pressure or compressive strain has been confirmed experimentally as well. This supports that the one-band Hubbard model plus an electron reservoir is the appropriate minimal model

Self-consistent ladder DΓ\GammaA approach

We present and implement a self-consistent D$\Gamma$A approach for multi-orbital models and ab initio materials calculations. It is applied to the one-band Hubbard model at various interaction strengths with and without doping, to the two-band Hubbard model with two largely different bandwidths, and to SrVO$_3$. The self-energy feedback reduces critical temperatures compared to dynamical mean-field theory, even to zero temperature in two-dimensions. Compared to a one-shot, non-self-consistent calculation the non-local correlations are significantly reduced when they are strong. In case non-local correlations are weak to moderate as for SrVO$_3$, one-shot calculations are sufficient.Comment: 21 Pages, 20 Figure