Related papers: $\textit{Ab initio}$ downfolding based on the GW a…
The discovery of superconductivity in infinite-layer nickelates brings us tantalizingly close to a new material class that mirrors the cuprate superconductors. Here, we report on magnetic excitations in these nickelates, measured using…
The recent discovery of superconductivity in bilayer La$_3$Ni$_2$O$_7$ (327-LNO) under pressure stimulated much interest in layered nickelates. However, superconductivity was not found in another bilayer nickelate system, La$_3$Ni$_2$O$_6$…
In this work, we propose a mechanism of inducing stable nodal superconductivity for multiple-flat-band systems. This mechanism is based on the degenerate flat band nature, so that not only intra-eigen-band pairing, but also inter-eigen-band…
We discuss the interplay between electronic correlations and an underlying superlattice structure in determining the period of charge density waves (CDW's), by considering a one-dimensional Hubbard model with a repeated (non-random) pattern…
Fundamental understanding and control of the electronic structure evolution in rare-earth nickelates is a fascinating and meaningful issue, as well as being helpful to understand the mechanism of recently discovered superconductivity. Here…
We consider the 2D Hubbard model in the strong-coupling case (U>>W) and at low electron density (nd^2<<1). We find an antibound state as a pole in the two-particle T-matrix. The contribution of this pole in the self-energy reproduces a…
Motivated by recent photoemission measurements on the La$_{0.8}$Sr$_{0.2}$NiO$_2$, we carry out a systematic study of the infinite-layer nickelate using both dynamical mean-field theory and density matrix embedding theory. The renormalized…
We report on the importance of GW self-energy corrections for the electronic structure of light actinides in the weak-to-intermediate coupling regime. Our study is based on calculations of the band structure and total density of states of…
Motivated by high-temperature superconductivity in pressurized La$_3$Ni$_2$O$_7$, we investigate the pair correlations in the two-orbital Hubbard ladder, which consists of the nearly half-filled and nearly quarter-filled orbitals. By…
A new method (NM) for filtering three-dimensional reconstructed densities is proposed. The algorithm is tested with simulated spectra and employed to study the electronic structure of the rare-earth compound LaB6. For this system, momentum…
Resolving where the density-wave gap opens in momentum space is essential for identifying the microscopic origin of the instability in layered nickelates. Using polarization-resolved electronic Raman scattering, we map the momentum…
Motivated by the recent experimental determination of the three-dimensional Fermi surface of overdoped La-based cuprate superconductors [Horio et al., Phys. Rev. Lett. 2018, 121, 077004], we revisit the tight-binding parameterization of…
The discovery of superconductivity in the infinite-layer nickelates has opened new perspectives in the context of quantum materials. We analyze, via first-principles calculations, the electronic properties of La$_2$NiO$_3$F -- the first…
We present a first-principles method for deriving effective low-energy models of electrons in solids having entangled band structure. The procedure starts with dividing the Hilbert space into two subspaces, the low-energy part ("$d$…
The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we…
We derive explicit forms of the two--point correlation functions of the $O(N)$ non-linear sigma model at the critical point, in the large $N$ limit, on various three dimensional manifolds of constant curvature. The two--point correlation…
Understanding similarities and differences between the cuprate and nickelate superconductors is drawing intense current interest. Competing charge orders have been observed recently in the $undoped$ infinite-layer nickelates in sharp…
The recent and exciting discovery of superconductivity in the hole-doped infinite-layer nickelate Nd 1-{\delta} Sr {\delta} NiO 2 draws strong attention to correlated quantum materials. From a theoretical view point, this new class of…
We investigate the behavior of three-dimensional (3D) exchange-correlation energy functional approximations of density functional theory in anisotropic systems with two-dimensional (2D) character. Using two simple models, quasi-2D electron…
In this paper, we investigate the impact of nonlocal correlations on charge fluctuations in the two-dimensional single-band Hubbard model close to the Mott metal-to-insulator transition, employing the ladder dynamical vertex approximation.…