Related papers: Universal orbital and magnetic structures in infin…
Building upon the recent progress on the intriguing underlying physics for the newly discovered infinite-layer nickelates, in this article we review an examination of valence charge and spin excitations via multi-orbital Hubbard models as…
High-T$_c$ superconductivity has recently been discovered in Ruddlesden-Popper phase nickelates under pressure, where the low-energy electronic structure is dominated by Ni $d_{x^2 - y^2}$ and $d_{z^2}$ orbitals. However, the respective…
The recent observation of superconductivity in thin film infinite-layer nickelates$^{1-3}$ offers a different angle to investigate superconductivity in layered oxides$^{4}$. A wide range of candidate models have been proposed$^{5-10}$,…
Using \emph{ab initio} band structure methods and DFT+dynamical mean-field theory approach we explore the possible formation of spin and charge stripes in the Ni-O plane of hole-doped infinite-layer nickelates, $R$NiO$_2$. Our results…
We use Resonant Inelastic X-ray Scattering (RIXS) to compare the doping dependence of magnetic excitations of an Infinite-Layer nickelate to those of a prototypical superconducting cuprate. The polarization analysis of RIXS spectra…
The series of nickel-oxide compounds LaNiO$_3$ (formal Ni$(d^7)$), La$_2$NiO$_4$ (formal Ni$(d^8)$) and LaNiO$_2$ (formal Ni$(d^9)$) is investigated by first-principles many-body, using a combination of density functional theory,…
Recently superconductivity at 9 - 15 K was discovered in an infinite-layer nickelate (Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ films), which has received enormous attention. Since the $Ni^{1+}$ ionic state in NdNiO$_2$ may have the $3d^9$ outer-shell…
The relationship between the long-range antiferromagnetic order in cuprates and the high-temperature superconductivity in these compounds represents unresolved, nearly four-decades long scientific problem. Because recently discovered…
We use first-principles calculations to find that in infinite-layer nickelates $R$NiO$_2$, the widely studied tetragonal $P4/mmm$ structure is only dynamically stable for early lanthanide elements $R$ = La-Sm. For late lanthanide elements…
Nickel-based superconductors provide a long-awaited experimental platform to explore possible cuprate-like superconductivity. Despite similar crystal structure and $d$ electron filling, these systems exhibit several differences. Nickelates…
In the present study, we explore superconductivity in NdNiO$_2$ and LaNiO$_2$ employing a first-principles derived low-energy model Hamiltonian, consisting of two orbitals: Ni $x^{2}$-$y^{2}$, and an {\it axial} orbital. The {\it axial}…
Motivated by recent photoemission measurements on the La$_{0.8}$Sr$_{0.2}$NiO$_2$, we carry out a systematic study of the infinite-layer nickelate using both dynamical mean-field theory and density matrix embedding theory. The renormalized…
The recent discovery of Sr-doped infinite-layer nickelate $\textrm{NdNiO}_2$ [D. Li et al. Nature 572, 624 (2019)] offers an exciting platform for investigating unconventional superconductivity in nickelatebased compounds. In this work, we…
Geometric effects in the infinite-layer nickelates $R$NiO$_2$ associated with the relative size of the $R$-site atom are investigated via first-principles calculations. We consider, in particular, the prospective YNiO$_2$ material to…
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…
Rare-earth (R) nickelates (such as perovskite RNiO3, trilayer R4Ni3O10, and infinite layer RNiO2) have attracted tremendous interest very recently. However, unlike widely studied RNiO3 and RNiO2 films, the synthesis of trilayer nickelate…
The bilayer nickelate La$_3$Ni$_2$O$_7$ (LNO) exhibits a remarkably high-temperature superconductivity of approximately 80 K under pressure, sparking considerable attentions. However, the nature of the spin, charge, and orbital order in LNO…
We report on a comprehensive study of the electronic and magnetic structure of the striped nickelate La5/3Sr1/3NiO4. The investigation is carried out using band structure calculations based on density functional theory. A magnetic structure…
Dimensionality and electronic correlations are crucial elements of many quantum material properties. An example is the change of the electronic structure accompanied by the loss of quasiparticles when a metal is reduced from three…
Understanding similarities and differences between the cuprate and nickelate superconductors is drawing intense current interest. Competing charge orders have been observed recently in the $undoped$ infinite-layer nickelates in sharp…