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The recent discovery of superconductivity in La$_3$Ni$_2$O$_{7-\delta}$ with a transition temperature $T_c$ close to 80 K at high pressures has attracted significant attention, due particularly to a possible density wave (DW) transition…
The recent discovery of superconductivity in hole-doped planar nickelates R1-xSrNiO2 (R=Pr,Nd) raises the foundational question of how the electronic structure and electronic correlations of these Ni1+ compounds compare to those of the Cu2+…
The bilayer nickelate La$_3$Ni$_2$O$_7$ under pressure has recently emerged as a promising system for high-$T_c$ superconductivity. In this work, we investigate the fate of the superconducting properties in La$_3$Ni$_2$O$_{7}$ under…
We develop a first-principles framework for finite-temperature structural optimization that incorporates vibrational contributions to the free energy through anharmonic phonon theory. We extend and further improve the efficiency of the…
Research on nickel-based superconductors has progressed from infinite-layer LaNiO$_2$ to finite-layer La$_{6}$Ni$_{5}$O$_{12}$, and most recently to the Ruddlesden-Popper phase La$_3$Ni$_2$O$_7$, which was found to exhibits onset of…
The discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under pressure has drawn great attention. However, consensus has not been reached on its pairing symmetry in theory. By combining density-functional-theory (DFT),…
Nickelate superconductors have attracted a great deal of attention over the past few decades due to their similar crystal and electronic structures with high-temperature cuprate superconductors. Here, we report the superconductivity in a…
We theoretically propose Ac$_3$Ni$_2$O$_7$, La$_2$BaNi$_2$O$_6$F, and La$_2$SrNi$_2$O$_6$F compounds to be benchmark materials for bilayer nickelate superconductivity. The stable phase of Ac$_3$Ni$_2$O$_7$ and La$_2$BaNi$_2$O$_6$F are found…
Ruddlesden-Popper (RP) nickelates have emerged as a crucial platform for exploring the mechanisms of high-temperature superconductivity. However, the Fermi surface topology required for superconductivity remains elusive. Here, beyond the…
Nickelates have continued to surprise since their unconventional superconductivity was discovered. Recently, the layered nickelate La$_5$Ni$_3$O$_{11}$ with hybrid single-layer and bilayer stacking showed superconductivity under high…
The recent discovery of high-temperature superconductivity in pressurized Ruddlesden-Popper nickelates stimulated intense research into their correlated electron physics. Establishing the diversity of ground states across different…
With recent discoveries of superconductivity in infinite--layer nickelates, and in La$_{3}$Ni$_{2}$O$_{7}$ under high pressure, new opportunities appeared that yet another family of high--temperature superconductors based on Ni element may…
The recently discovered superconductor $\mathrm{La_{3}Ni_{2}O_{7}}$ has attracted significant attention due to its remarkably high transition temperature ($T_{c}$) under high pressure. Shortly after this discovery, thin-film…
Recently, the films of the Ruddlesden-Popper (RP) nickelate superconductors, in which the (La,Pr)$_3$Ni$_2$O$_7$ system exhibits a remarkable transition temperature $T_c$ exceeding 40 K, were synthesized at ambient pressure. We…
The recent discovery of superconductivity under pressure in Ruddlesden-Popper (RP) nickelates has attracted a great deal of attention. Here, using charge-self consistent density-functional theory plus dynamical mean-field theory, we study…
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…
The recently discovered nickelate superconductor La$_3$Ni$_2$O$_7$ has a high transition temperature near 80 K under pressure, which offers additional avenues of unconventional superconductivity. Here with state-of-the-art tensor-network…
The observation of high-$T_c$ superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$ under high pressure provides a new venue for exploring novel unconventional superconductors and elucidating the mechanism of high-$T_c$…
The observation of superconductivity in La$_3$Ni$_2$O$_{7-\delta}$ under pressure, following the suppression of a high-temperature density wave state, has attracted considerable attention. The nature of this density wave order was not…
The recent discovery of high-$T_c$ superconductivity in Ruddlesden-Popper (RP) nickelates has motivated extensive efforts to explore higher $T_c$ superconductors. Here, we systematically investigate Nd-doped La$_3$Ni$_2$O$_7$ using density…