Related papers: Correlated electronic structure of a quintuple-lay…
A variety of nickel oxide compounds have long been studied for their manifestation of various correlated electron phenomena. Recently, superconductivity was observed in nanoscale infinite layer nickelate thin films of…
Reduced dimensionality and strong electronic correlations, which are among the most important ingredients for cupratelike high-Tc superconductivity, characterize also the physics of nickelate-based heterostructures. Starting from the…
These are introductory lectures to some aspects of the physics of strongly correlated electron systems. I first explain the main reasons for strong correlations in several classes of materials. The basic principles of dynamical mean-field…
Recently superconductivity at 9 - 15 K was discovered in an infinite-layer nickelate (Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ films), which has received enormous attention. Since the $Ni^{1+}$ ionic state in NdNiO$_2$ may have the $3d^9$ outer-shell…
Infinite-layer nickelates ($R$NiO$_2$) exhibit some distinct differences as compared to cuprate superconductors, leading to a debate concerning the role of rare-earth ions ($R$=La, Pr, Nd) in the low-energy many-body physics. Although…
We study the dopant-induced inhomogeneity effect on the electronic properties of heavy fermionCeCoIn5using a combined approach of density functional theory (DFT) and dynamical mean-field theory (DMFT). The inhomogeneity of the hybridization…
The discovery of superconductivity at 80 K under high pressure in La$_3$Ni$_2$O$_7$ presents the groundbreaking confirmation that high-$T_c$ superconductivity is a property of strongly correlated materials beyond cuprates. We use density…
The breakthrough discovery of superconductivity in infinite-layer nickelates, and subsequently in several superconducting nickelates with more complex layered structures, capped a search spanning more than two decades and opened an entirely…
We report a determinant quantum Monte Carlo study of a two-band model, inspired by infinite-layer nickelates, focusing on the influence of interlayer hybridization between $3d_{x^2-y^2}$ orbitals derived from Ni (or Ni and O) in one layer…
In materials science, much effort has been devoted to reproduce superconductivity in chemical compositions analogous to cuprate superconductors since their discovery over thirty years ago. This approach was recently successful in realising…
The discovery of unconventional superconductivity in hole doped NdNiO2, similar to CaCuO2, has received enormous attention. However, different from CaCuO2, RNiO2 (R = Nd, La) has itinerant electrons in the rare-earth spacer layer. Previous…
Electronic structure of one of the nickelates (LaNiO$_{2}$) and one of the cuprates (CaCuO$_{2}$) is studied with three self consistent GW-based methods: scGW, sc(GW+Vertex), and quasiparticle self-consistent GW. Low energy features…
Based on first-principles calculations including a Coulomb repulsion term, we identify trends in the electronic reconstruction of $A$NiO$_2$/SrTiO$_3$(001) ($A=$ Pr, La) and $A$CuO$_2$/SrTiO$_3$(001) ($A=$ Ca, Sr). Common to all cases is…
Nickel-based complex oxides have served as a playground for decades in the quest for a copper-oxide analog of the high-temperature superconductivity. They may provide clues towards understanding the mechanism and an alternative route for…
Rare-earth infinite-layer nickelates represent an emerging class of unconventional superconductors, with materials synthesis largely limited to early lanthanide compounds. Here, we report the synthesis and characterization of phase-pure…
The discovery of superconductivity in a $d^{9-{\delta}}$ nickelate has inspired disparate theoretical perspectives regarding the essential physics of this class of materials. A key issue is the magnitude of the magnetic superexchange, which…
Rare-earth trihydrides ($R$H$_3$) exhibit intriguing coupled electronic and structural properties as a function of doping, hydrogen vacancies, and thermodynamic conditions. Theoretical studies of these materials typically rely on density…
We theoretically investigate a freestanding membrane of infinite-layer nickelate Nd$_{0.85}$Sr$_{0.15}$NiO$_2$ under pressure by constructing a seven-orbital effective model based on first-principles calculations. By performing the…
Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting $T_{\mathrm{c}}$ vs. the number of layers $n$ for finite-layer nickelates using the dynamical…
The pairing mechanism in cuprates remains as one of the most challenging issues in the field of condensed matter physics. The unique 3d9 electron orbital of the Cu2+ ionic states in cuprates is supposed to be the major player for the…