Related papers: Electronic instability, layer selectivity and Ferm…
We employ correlated density-functional theory methods (DFT + Hubbard $U$) to investigate the spin-density wave state of the bilayer Ruddlesden-Popper (RP) nickelate La$_{3}$Ni$_{2}$O$_{7}$ which becomes superconducting under pressure. We…
A heavy-fermion paramagnet UTe$_2$ has been a strong candidate for a spin-triplet superconductor. Experiments on UTe$_2$ under pressure have been vigorously conducted, and rich phase diagrams have been suggested. Multiple superconducting…
Recent angle-resolved photoemission measurements on La$_3$Ni$_2$O$_7$ have challenged the density-functional-theory-based picture of three Fermi surfaces by revealing that the $d_{z^2}$-derived $\gamma$ band can reside below the Fermi…
Superconductivity in nickelates apparently takes place in two different Ni oxidation regimes, namely either for infinite-layer-type compounds close to Ni$^{+}$, or for Ruddlesden-Popper materials close to Ni$^{2+}$. The reduced…
Motivated by the recent finding of superconductivity in layered CoO_2 compounds, we investigate superconducting and magnetic instabilities of interacting electrons on the two-dimensional triangular lattice. Using a one-loop renormalization…
We use first-principles calculations to investigate the crystal and electronic structure of the hybrid bilayer-trilayer Ruddlesden-Popper (RP) nickelate La$_7$Ni$_5$O$_{17}$ under hydrostatic pressure and biaxial compressive strain. By…
We elucidate the electronic structure and quantum many-body instabilities of the monolayer nickelate La2NiO4 under hydrostatic pressure using a combination of density functional theory, dynamical mean-field theory (DFT+DMFT), and random…
Ruddlesden-Popper (RP) nickelates have emerged as a crucial platform for exploring the mechanisms of high-temperature superconductivity. However, the Fermi surface topology required for superconductivity remains elusive. Here, beyond the…
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 superconductivity in hole-doped planar nickelates R1-xSrNiO2 (R=Pr,Nd) raises the foundational question of how the electronic structure and electronic correlations of these Ni1+ compounds compare to those of the Cu2+…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the electronic structure, magnetic state, and structural phase stability of the recently…
We explore the structural and electronic properties of the bilayer nickelate La3Ni2O7 on LaAlO3(001) and SrTiO3(001) by using density functional theory including a Coulomb repulsion term. For La$_3$Ni$_2$O$_{7}$/LaAlO$_3$(001), we find that…
The recent discovery of high-temperature superconductivity in pressurized Ruddlesden-Popper nickelates stimulated intense research into their correlated electron physics. Establishing the diversity of ground states across different…
The latest discovery of high temperature superconductivity near 80K in La3Ni2O7 under high pressure has attracted much attention. Many proposals are put forth to understand the origin of superconductivity.The determination of electronic…
The discovery of high-Tc superconductivity around 80K in bilayer nickelate La3Ni2O7 under high pressure has expanded the family of high-Tc superconductors above the nitrogen boiling temperature. Recent studies have further shown that…
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…
We have studied the low-lying electronic structure of a new ThCr$_2$Si$_2$-type superconductor KNi$_2$Se$_2$ with angle-resolved photoemission spectroscopy. Three bands intersect the Fermi level, forming complicated Fermi surface topology,…
We explore the superconducting pairing mechanisms in the trilayer $\mathrm{La}_4\mathrm{Ni}_3\mathrm{O}_{10}$ material through self-consistent mean-field calculations. Our findings demonstrate that intralayer pairings are substantially…
Motivated by the recent discovery of superconductivity in La$_3$Ni$_2$O$_7$ under pressure, we discuss the basic ingredients of a model that captures its microscopic physics under pressure tuning. We anchor our description in terms of the…
The electronic structure, stability, electron phonon coupling and superconductivity of the non-oxide perovskite MgCNi$_3$ are studied using density functional calculations. The band structure is dominated by a Ni $d$ derived density of…