Related papers: Modifying the Electronic Orbitals of Nickelate Het…

Using the local density approximation and its combination with dynamical mean-field theory, we show that electronic correlations induce a single-sheet, cuprate-like Fermi surface for hole-doped 1/1 LaNiO3 /LaAlO3 heterostructures, even…

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…

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…

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…

First-order structural phase transition is a common phenomenon in materials that qualitatively alters their physical properties. Yet, the abrupt first-order nature is usually unexplained by realistic computations, implying an omission of…

Epitaxial strain, layer confinement and inversion symmetry breaking have emerged as powerful new approaches to control the electronic and atomic-scale structural properties in complex metal oxides. Nickelate heterostructures, based on…

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…

We analyze the electronic structure of the recently synthesized higher-order nickelate Ruddlesden-Popper phases La$_{n+1}$Ni$_n$O$_{3n+1}$ ($n=4-6$) using first-principles calculations. For all materials, our results show large holelike…

Layered Nickelates have gained intensive attention as potential high-temperature superconductors, showing similarities and subtle differences to well-known Cuprates. This study introduces a modelling framework to analyze the tunability of…

After the significant discovery of the hole-doped nickelate compound Nd$_{0.8}$Sr$_{0.2}$NiO$_2$, an analysis of the electronic structure, orbital components, Fermi surfaces and band topology could be helpful to understand the mechanism of…

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…

Motivated by the recent discovery of superconductivity in the pentalayer nickelate Nd$_6$Ni$_5$O$_{12}$ [Nature Materials 10.1038], we calculate its electronic structure and superconducting critical temperature. We find that electronic…

Using first-principles density functional theory calculations, we investigated the effect of charge doping in a LaNiO$_3$/SrTiO$_3$ superlattice. The detailed analysis based on two different simulation methods for doping clearly shows that…

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…

The superconducting infinite-layer (IL) nickelates offer a new platform for investigating the long-standing problem of high-temperature superconductivity. Many models were proposed to understand its superconducting mechanisms based on the…

The electronic structure and magnetism in the sodium nickelate NaNiO_2 in the low-temperature phase is studied from density-functional calculations using the linear muffin-tin orbitals method. An antiferromagnetic solution with a magnetic…

We present a combined study of Ni $K$-edge resonant x-ray scattering and density functional calculations to probe and distinguish electronically driven ordering and lattice distortions in nickelate heterostructures. We demonstrate that due…

The electronic and magnetic properties of epitaxial LaNiO3/LaAlO3 superlattices can be tuned by layer thickness and substrate-induced strain. Here, we report on direct measurements of the k-space-resolved electronic structure of buried…

Generally, lattice distortions play a key role in determining the ground states of materials. Although it is well known that trigonal distortions are generic to most two-dimensional transition metal dichalcogenides, the impact of this…