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Motivated by the recently reported high-temperature superconductivity in the bilayer La$_3$Ni$_2$O$_7$ (LNO) under pressure, here we comprehensively study this system using {\it ab initio} techniques. The Ni $3d$ orbitals have a large…
The Mott insulator provides an excellent foundation for exploring a wide range of strongly correlated physical phenomena, such as high-temperature superconductivity, quantum spin liquid, and colossal magnetoresistance. A Mott insulator with…
We discuss the recently discovered system $Sr Cu_2 (BO_3)_2$, a realization of an exactly solvable model proposed two decades earlier. We propose its interpretation as a Mott Hubbard insulator. The possible superconducting phase arising…
We report strongly correlated electronic band structure calculations of the recently discovered double-layer high-temperature superconductor La$_3$Ni$_2$O$_7$ under pressure. Our calculations reveal dual nature of Ni-$d$ electrons with…
Recently discovered high-T$_c$ superconductivity in pressurized bilayer nickelate La$_3$Ni$_2$O$_7$ (La-327) is believed to be driven by the non-phononic repulsive interaction. Depending on the strength of the interlayer repulsion, the…
We study by the Gutzwiller approximation the melting of the valence bond crystal phase of a bilayer Hubbard model at sufficiently large inter-layer hopping. We find that a superconducting domain, with order parameter $d_{z^2-r^2}$, $z$…
The discovery of superconductivity in nickelate compounds has opened new avenues in the study of high-temperature superconductors. Here we provide a comprehensive overview of recent progress in the field, including all different nickelate…
The moir\'e Hubbard model describes correlations in certain homobilayer twisted transition metal dichalcogenides. Using exact diagonalization and density matrix renormalization group methods, we find magnetic Mott insulating and metallic…
The doping induced insulator-metal transition in $La_{1-x}Sr_{x}TiO_{3}$ is studied using the ab-initio LDA+DMFT method. Combining the LDA bandstructure for the actual, distorted structure found recently with multi-orbital DMFT to treat…
After several decades of studies of high-temperature superconductivity, there is no compelling theory for the mechanism yet; however, the spin fluctuations have been widely believed to play a crucial role in forming the superconducting…
We investigate the evolution of the Mott insulators in the triangular lattice Hubbard Model, as a function of hole doping $\delta$ in both the strong and intermediate coupling limits. Using the advanced density matrix renormalization group…
Motivated by the report of superconductivity in bilayer La$_3$Ni$_2$O$_7$ at high pressure, we examine the interacting electrons in this system. First-principles many-body theory is utilized to study the normal-state electronic properties.…
Whether the newly discovered KxFe2-ySe2 systems are doped Mott or band insulators is key to how superconductivity emerges at lower temperature. With extant theoretical studies supporting conflicting scenarios, a more realistic approach is…
The new family of superconducting nickelates centered around La$_{3}$Ni$_{2}$O$_{7}$ possesses attractive features, such as the high transition temperature and the presence of an antiferromagnetic ground state at ambient pressure,…
The discovery of high-temperature superconductivity in bilayer nickelate La$_{3}$Ni$_{2}$O$_{7}$ necessitates a minimal theoretical model that unifies the superconducting phase with the spin-density-wave (SDW) phase without external…
We study the doping-driven Mott metal-insulator transition for multi-orbital Hubbard models with Hund's exchange coupling at finite temperatures. As in the single-orbital Hubbard model, the transition is of first-order within dynamical mean…
The discovery of high-${T_c}$ superconductivity in pressurized bilayer nickelate La$_3$Ni$_2$O$_7$ presents a new arena for exploring unconventional pairing mechanisms. A pivotal yet unresolved issue is the specific role of the $3d_{z^{2}}$…
We conduct first-principles simulations of La$_3$Ni$_2$O$_7$, a nickelate in which recent experiments have shown signs of high-temperature superconductivity. Within the hydrostatic pressure range where superconductivity is observed, we find…
Using DFT+DMFT we study the normal-state electronic structure and magnetic correlations of the recently discovered alternating single-layer bilayer Raddlesden-Popper nickelate La$_5$Ni$_3$O$_{11}$ (1212-LNO). Our results exhibit qualitative…
The recent observation of superconductivity in infinite-layer nickelates has brought intense debate on the established knowledge of unconventional superconductivity based on the cuprates. Despite many similarities, the nickelates differ…