Related papers: Self-doped Molecular Mott Insulator for Bilayer Hi…
The interplay among orbital-selective Mott physics, Hund's coupling, tunable structural motifs, and Kondo-like scattering establishes a compelling paradigm for understanding and engineering correlated multi-orbital systems, as vividly…
We employ a density-functional theory plus dynamical mean-field theory framework to investigate the correlated electronic structure of the alternating single-layer trilayer (1313) polymorph of La$_3$Ni$_2$O$_7$ under pressure. At ambient…
Recently, a series of experiments have been conducted which control the superconducting T$_\text{c}$ of the bilayer nickelates La$_3$Ni$_2$O$_7$ through tuning the oxygen stoichiometry, the element substitution, the pressure or strain,…
The recently discovered trilayer nickelate superconductor La$_4$Ni$_3$O$_{10}$ under pressure has emerged as a promising platform for exploring unconventional superconductivity. However, the pairing mechanism remains a subject of active…
While the phase diagrams of the one- and multi-orbital Hubbard model have been well studied, the physics of real Mott insulators is often much richer, material dependent, and poorly understood. In the prototype Mott insulator…
The recent observation of superconductivity in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ has raised fundamental questions about the hierarchy of the underlying electronic structure. Calculations suggest that this system falls in the Mott-Hubbard regime,…
Prompted by the recent discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under pressure, this study delves into a theoretical investigation of spin excitations within this intriguing material. Through self-consistent…
The recent discovery of high-$T_c$ superconductivity in Ruddlesden-Popper (RP) nickelates has motivated extensive efforts to explore higher $T_c$ superconductors. Here, we systematically investigate Nd-doped La$_3$Ni$_2$O$_7$ using density…
We investigate the structural and electronic conditions conducive to superconductivity in layered nickelates using density functional theory with Hubbard corrections (DFT+$U$). For both the bilayer and 1-3 polymorphs of La$_3$Ni$_2$O$_7$,…
Ever since the discovery of high-temperature superconductivity in cuprates, gaining microscopic insights into the nature of pairing in strongly correlated, repulsively interacting fermionic systems has remained one of the greatest…
We explore the optical properties of La3Ni2O7 bilayer nickelates by using density functional theory including a Coulomb repulsion term. Convincing agreement with recent experimental ambient-pressure spectra is achieved for U=3eV, which…
The recent discovery of superconductivity in the bilayer Ruddlesden-Popper nickelate La$_3$Ni$_2$O$_7$ under high pressure has generated much interest in the superconducting pairing mechanism of nickelates. Despite extensive work, the…
The discovery of high-temperature superconductivity in Ruddlesden-Popper nickelates has drawn great attention. However, unlike cuprates and iron-based superconductors, Ruddlesden-Popper nickelates exhibit superconductivity either under high…
Understanding the evolution of the superconducting transition temperature in relation to doping and interaction strengths is one of the most challenging problems in high temperature superconductivity. By refining determinant quantum Monte…
The novel nickelate superconductors of infinite-layer type feature challenging electronic pecularities in the normal-state phase diagram with doping. Distinct many-body behavior and different dispersion regimes of the entangled…
The electronic properties of Mott insulators realized in (111) bilayers of perovskite transition-metal oxides are studied. The low-energy effective Hamiltonians for such Mott insulators are derived in the presence of a strong spin-orbit…
High temperature superconductivity was recently found in the bilayer nickelate $\rm{La}_3 \rm{Ni}_2 \rm{O}_7$ (La327), followed by the discovery of superconductivity in the trilayer $\rm{La}_4 \rm{Ni}_3 \rm{O}_{10}$ (La4310), under high…
We theoretically investigate the unconventional superconductivity in the newly discovered infinite-layer nickelates Nd$_{1-x}$Sr$_{x}$NiO$_{2}$ based on a two-band model. By analyzing the transport experiments, we propose that the doped…
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…
The recently discovered cuprate superconductor Ba$_2$CuO$_{3+\delta}$ exhibits a high $T_c\simeq73$K at $\delta\simeq0.2$. The polycrystal grown under high pressure has a structure similar to La$_2$CuO$_4$, but with dramatically different…