Related papers: Orbital-selective Mottness Driven by Geometric Fru…
The discovery of superconductivity in Ruddlesden-Popper nickelates has established a new frontier in the study of high-temperature superconductors. However, the underlying pairing mechanism and its relationship to the material's electronic…
The newly discovered high-$T_c$ nickelate superconductor La$_3$Ni$_2$O$_7$ has generated significant research interest. To uncover the pairing mechanism, it is essential to investigate the intriguing interplay between the two $e_g$, i.e.,…
Motivated by the recent realization of the infinite-layer nickelate superconductivity (SC), we quantitatively investigate a two-orbital $d$-$s$ model by dynamic cluster quantum Monte Carlo calculations. Focusing on the impact of…
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$_7$,…
Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La$_5$Ni$_3$O$_{11}$ with hybrid single-layer and bilayer stacking showed superconductivity under high…
We report a comprehensive theoretical analysis of the Ruddlesden-Popper layered nickelates La$_{m+1}$Ni$_m$O$_{3m+1}$ ($m = 1$ to 6) under pressure. Our results suggest that, while these Ruddlesden-Popper layered nickelates display many…
There is increasing recognition that the multiorbital nature of the 3d electrons is important to the proper description of the electronic states in the normal state of the iron-based superconductors. Earlier studies of the pertinent…
To clarify the nature of high-temperature superconductivity in the bilayer nickelate La$_3$Ni$_2$O$_7$ under pressure, we investigate, using the density-matrix renormalization group method, the pair correlations in the two-orbital $t$-$J$…
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+…
We investigate the evolution of polarized electronic Raman response in trilayer nickelate La$_4$Ni$_3$O$_{10}$, uncovering a systematic reduction of the incoherent electron continuum across the density wave transition in the $A_{1g}$ and…
Motivated by the recently proposed alternating single-layer trilayer stacking structure for the nickelate La$_3$Ni$_2$O$_7$, we comprehensively study this system using {\it ab initio} and random-phase approximation techniques. Our analysis…
Resonant inelastic x-ray scattering is used to investigate the electronic origin of orbital polarization in nickelate heterostructures taking $\mathrm{LaTiO_3-LaNiO_3-3x(LaAlO_3)}$, a system with exceptionally large polarization, as a model…
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…
By preforming DFT+DMFT calculations, we systematically investigate the correlated electronic structure in the newly discovered monolayer-trilayer (ML-TL) phase of La$_3$Ni$_2$O$_7$ (1313-La327). Our calculated Fermi surfaces are in good…
The crux of understanding the superconducting mechanism in pressurized Ruddlesden-Popper nickelates hinges on elucidating their structural phases. Under ambient conditions, the trilayer nickelate La4Ni3O10 stabilizes in a twinned monoclinic…
The interplay of multiorbital physics and nonlocal self-energy effects is studied within an effective three-orbital model for the high-pressure normal state of superconducting bilayer nickelate La$_3$Ni$_2$O$_7$. The model is solved within…
In the intricate phase diagram of unconventional superconductors characterized by intertwined electronic orders and superconductivity, a key step in understanding the superconducting mechanism is to investigate the parent compounds from…
In this paper we investigate the electronic and superconducting properties in nickelate compounds of NiO2 through Perturbative Density Functional Theory (P-DFT) and multi-band BCS theory. We consider three different cases of study (i) the…
Motivated by the recently reported signatures of superconductivity in trilayer La$_4$Ni$_3$O$_{10}$ under pressure, we comprehensively study this system using {\it ab initio} and random-phase approximation techniques. Without electronic…
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…