Related papers: Geometric effects in the infinite-layer nickelates
I show the infinite-layer rare-earth nickelates are near a structural quantum critical point by mapping the energetics of their structural instabilities using first priniciples calculations. I first confirm previous results that show a…
It has been recently shown that under pressure trilayer Ruddlesden-Popper nickelate La$_4$Ni$_3$O$_{10}$ (LNO) becomes superconducting below a critical temperature $\sim$20 K, in addition to the infinite-layer and bilayer systems. Motivated…
The recent discovery of superconductivity in oxygen-reduced monovalent nickelates has raised a new platform for the study of unconventional superconductivity, with similarities and differences with the cuprate high temperature…
Characterizing the dimensionality of the superconducting state in infinite-layer (IL) nickelates is essential for understanding its nature. Most studies have addressed this by examining the anisotropy of the upper critical fields. However,…
Recent discovery of superconductivity in the doped infinite-layer nickelates has renewed interest in understanding the nature of high-temperature superconductivity more generally. The low-energy electronic structure of the parent compound…
Employing combination of first-principles calculations, low-energy model construction, and variational Monte Carlo solution of the ab-initio derived Hubbard model, we study the effect of hydrogenation in the electronic structure and…
While ultra-thin layers of the LaNiO$_3$ film exhibit a remarkable metal-insulator transition as the film thickness becomes smaller than a few unit cell (u.c.), the formation of oxygen vacancies and their effects on the correlated…
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 recently discovered superconducting infinite-layer nickelates offer a novel platform to explore an exotic pairing mechanism in multi-band systems towards high-temperature superconductivity and associated rich quantum phases, contrasting…
La$_2$NiO$_{4+\delta}$ has attracted increasing interest in recent years, both as oxygen electrode in solid oxide fuel cells and electrolysers due to its high electrochemical activity at intermediate to high temperatures, and as key…
Infinite-layer nickelate superconductors are typically synthesized as thin films and thus include, besides the more bulk-like inner layers, distinct surface and interface layers in contact with the vacuum and substrate, respectively. Here,…
The recent discovery of superconductivity in doped infinite-layer nickelates has stimulated intensive interest, especially for similarities and differences compared to that in cuprate superconductors. In contrast to cuprates, although…
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…
The recent discovery of a zero-resistance state in nickel-based compounds has generated a re-excitement about the long-standing problem in condensed matter of high-critical-temperature superconductivity, in light of the analogies between…
Based on first-principles calculations including a Coulomb repulsion term, we identify trends in the electronic reconstruction of $A$NiO$_2$/SrTiO$_3$(001) ($A=$ Pr, La) and $A$CuO$_2$/SrTiO$_3$(001) ($A=$ Ca, Sr). Common to all cases is…
We have investigated charge dynamics and electronic structures for single crystals of metallic layered nickelates, R2-xSrxNiO4 (R=Nd, Eu), isostructural to La2-xSrxCuO4. Angle-resolved photoemission spectroscopy on the barely-metallic…
The recent observation of unconventional superconductivity in thin films of LaNiO2 (critical temperature, Tc~10 K) and in bulk single crystals of La3Ni2O7 (327) under pressure (Tc~80 K), has brought to light a long sought-after class of…
Quantum reactive scattering calculations for the hydrogen exchange reaction H + H$_2$($v=4$, $j=0$) $\to$ H + H$_2$($v'$, $j'$) and its isotopic analogues are reported for ultracold collision energies. Due to the unique properties…
The discovery of pressurized superconductivity at 80 K in La3Ni2O7 officially brings nickelates into the family of high-temperature superconductors, which gives rise to not only new insights but also mysteries in the strongly correlated…
Isotopic substitution, which can be realized both in experiment and computer simulations, is a direct approach to assess the role of nuclear quantum effects on the structure and dynamics of matter. Yet, the impact of nuclear quantum effects…