Related papers: Correlated electronic structure of a quintuple-lay…
The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we…
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…
The discovery of superconductivity in nickelates has generated significant interest in condensed matter physics. Nickelate superconductors, which are hole-doped within the layered structure of RNiO$_2$, share structural similarities with…
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…
The discovery of superconductivity in thin films ($\sim$10 nm) of infinite-layer hole-doped NdNiO$_2$ has invigorated the field of high-temperature superconductivity research, reviving the debate over contrasting views that nickelates that…
Superconductivity with a remarkably high $T_c$ has recently been found in Sr-doped NdNiO$_2$ thin films. While this system bears strong similarities to the cuprates, some differences, such as a weaker antiferromagnetic exchange coupling and…
Recent experiments have shown that the reduced multilayer rare-earth (RE) nickel oxides of form RE$_{p+1}$Ni$_p$O$_{2p+2}$ may belong to the novel family of superconducting lanthanide nickelates. Here, the correlated electronic structure of…
The recent discovery of superconductivity in Sr-doped NdNiO$_2$ films grown on SrTiO$_3$ started a novel field within unconventional superconductivity. To understand the similarities and differences between nickelate and cuprate layers on…
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,…
Superconducting nickelates appear to be difficult to synthesize. Since the chemical reduction of ABO3 (A: rare earth; B transition metal) with CaH2 may result in both, ABO2 and ABO2H, we calculate the topotactic H binding energy by density…
Recently, superconductivity with a $T_c$ up to 78 K has been reported in bulk samples of the bilayer nickelate La$_3$Ni$_2$O$_7$ at pressures above 14 GPa. Important theoretical tasks are the formulation of relevant low-energy models and…
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…
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 recent observation of superconductivity at relatively high temperatures in hole doped NdNiO$_2$ has generated considerable interest, particularly due to its similarity with the infinite layer cuprates. Building on the observation that…
The discovery of superconductivity in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ [1] introduced a new family of layered nickelate superconductors that has now been extended to include a range of Sr-doping [2, 3], Pr or La in place of Nd [4-6], and the…
The recent discovery of high-T$_{c}$ superconductivity (HTS) in Sr-doped NdNiO$_2$ has sparked a renewed interest in investigating nickelates as cuprate counterparts. Parent cuprates [Cu$^{2+}$: d$^9$] are antiferromagnetic charge-transfer…
Motivated by recent core-level x-ray photoemission spectroscopy (XPS), x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS) experiments for the newly-discovered superconducting infinite-layer nickelate, we…
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…
Effective models are constructed for a newly discovered superconductor (Nd,Sr)NiO2, which has been considered as a possible nickelate analogue of the cuprates owing to the d9 electron configuration. Estimation of the effective interaction,…
We present electronic structure calculations on layered nickelate oxyfluorides derived from the Ruddlesden-Popper arisotype structure in search of unidentified materials that may host nickelate superconductivity. By performing anion…