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We present a comparative density-functional theory plus dynamical mean-field theory (DFT+DMFT) study of the two known superconducting members of the rare-earth (R) layered nickelate family: hole-doped RNiO$_{2}$ ($n=\infty$) and…
The breakthrough discovery of superconductivity in infinite-layer nickelates, and subsequently in several superconducting nickelates with more complex layered structures, capped a search spanning more than two decades and opened an entirely…
Superconductivity in infinite layer nickelates Nd1-xSrxNiO2 has so far been achieved only in thin films raising questions on the role of substrates and interfaces. Given the challenges associated with their synthesis it is imperative to…
The discovery of infinite-layer nickelate superconductors has spurred enormous interest. While the Ni$^{1+}$ cations possess nominally the same 3$d^9$ configuration as Cu$^{2+}$ in cuprates, the electronic structure variances remain…
The recent discovery of superconductivity in bilayer La$_3$Ni$_2$O$_7$ (327-LNO) under pressure stimulated much interest in layered nickelates. However, superconductivity was not found in another bilayer nickelate system, La$_3$Ni$_2$O$_6$…
The discovery of unconventional superconductivity in hole doped NdNiO2, similar to CaCuO2, has received enormous attention. However, different from CaCuO2, RNiO2 (R = Nd, La) has itinerant electrons in the rare-earth spacer layer. Previous…
The discovery of superconductivity in infinite-layer nickelates is presently an important topic in condensed-matter physics, and potential similarities to and differences from cuprates are under intense debate. We determine general features…
We conducted a comparative study of the rare-earth infinite-layer nickelates films, RNiO2 (R = La, Pr, and Nd) using resonant inelastic X-ray scattering (RIXS). We found that the gross features of the orbital configurations are essentially…
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,…
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…
After the reward of more than two decades of pursuit on the high-Tc cuprate analog with the hope to obtain a better understanding of the mechanism of high-Tc superconductivity, the discovery of superconductivity in the infinite-layer…
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…
Recent angle-resolved photoemission measurements on La$_3$Ni$_2$O$_7$ have challenged the density-functional-theory-based picture of three Fermi surfaces by revealing that the $d_{z^2}$-derived $\gamma$ band can reside below the Fermi…
Superconducting nickelates are a new family of strongly correlated electron materials with a phase diagram closely resembling that of superconducting cuprates. While analogy with the cuprates is natural, very little is known about the…
Several reports about infinite-layer nickelate thin films suggest that the superconducting critical temperature versus chemical doping phase diagram has a dome-like shape, similar to cuprates. Here, we demonstrate a highly reproducible…
We study theoretically the fluoro-nickelate series $A$NiF$_2$ ($A=$ Li, Na, K, Rb, Cs) in the tetragonal $P4/mmm$ infinite-layer structure. We use density functional theory to determine the structural parameters and the electronic band…
The recent discovery of pressure-induced superconductivity in the bilayer La$_3$Ni$_2$O$_7$ (LNO) has opened a new platform for the study of unconventional superconductors. In this publication, we investigate theoretically the whole family…
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…
The recent and exciting discovery of superconductivity in the hole-doped infinite-layer nickelate Nd 1-{\delta} Sr {\delta} NiO 2 draws strong attention to correlated quantum materials. From a theoretical view point, this new class of…
In BiS$_2$-based layered superconductors,the existence of gap nodes on Fermi-surface curves has been suggested from angle-resolved photoemission spectroscopy measurements, whereas the conventional $s$-wave gap has been proposed from…