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Recently discovered superconducting infinite-layer nickelates $R$NiO$_2$ ($R$=Nd, La, Pr) attract increasing attention due to their similarities to cuprates. Both $R$NiO$_2$ and YBCO cuprates exhibit the non-Fermi-liquid transport behavior,…
The discovery of superconductivity in Sr-doped NdNiO$_{2}$ is a crucial breakthrough in the long pursuit for nickel oxide materials with electronic and magnetic properties similar to those of the cuprates. NdNiO$_2$ is the infinite-layer…
In materials science, much effort has been devoted to reproduce superconductivity in chemical compositions analogous to cuprate superconductors since their discovery over thirty years ago. This approach was recently successful in realising…
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…
A hallmark of many unconventional superconductors is the presence of many-body interactions which give rise to broken symmetry states intertwined with superconductivity. Recent resonant soft x-ray scattering experiments report commensurate…
To understand the superconductivity recently discovered in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$, we carried out LDA+DMFT (local density approximation plus dynamical mean-field theory) and magnetic force response calculations. The on-site correlation…
The discovery of superconducting nickelates reignited hope for elucidating the high-$T_{\textrm{c}}$ superconductivity mechanism in the isostructural cuprates. While in the cuprates, the superconducting gap opens up on a single-band of the…
The search for oxide materials with physical properties similar to the cuprate high Tc superconductors, but based on alternative transition metals such as nickel, has grown and evolved over time. The recent discovery of superconductivity in…
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…
Motivated by the recent experimental discovery of superconductivity in the infinite-layer nickelate Nd0.8Sr0.2NiO2 [Li et al., Nature 572, 624 (2019)], we study how the correlated Ni 3dx2-y2 electrons in the NiO2 layer interact with the…
The discovery of superconductivity in the infinite-layer nickelates has opened new perspectives in the context of quantum materials. We analyze, via first-principles calculations, the electronic properties of La$_2$NiO$_3$F -- the first…
Motivated by the recent discovery of superconductivity in the Sr-doped layered nickelate NdNiO$_2$, we perform a systematic computational materials design of layered nickelates that are dynamically stable and whose electronic structure…
We analyze the electronic structure of different surface terminations for infinite-layer nickelates. Surface NiO$_2$ layers are found to be buckled, in contrast to planar bulk layers. While the rare-earth terminated surface fermiology is…
Flat bands coupled with magnetism and topological orders near or at the Fermi level are well known to drive exotic correlation physics and unconventional superconductivity. Here, based on first-principles modeling combined with an in-depth…
Rare-earth nickelates RNiO$_2$ adopting an infinite-layer phase show superconductivity once La, Pr or Nd are substituted by a divalent cation. Either in the pristine or doped form, these materials are reported to adopt a high symmetry,…
The discovery of superconductivity in infinite-layer nickelates has ignited stark interest within the scientific community, particularly regarding its likely unconventional origin. Conflicting magnetotransport measurements report either…
In contrast to the cuprates, where the proximity of antiferromagnetism (AFM) and superconductivity is well established, first indications for AFM interactions in superconducting infinite-layer nickelates were only recently obtained. Here,…
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 have revisited the electronic structure of infinite-layer RNiO$_2$ (R= La, Nd) in light of the recent discovery of superconductivity in Sr-doped NdNiO$_2$. From a comparison to their cuprate counterpart CaCuO$_2$, we derive essential…
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…