相关论文: Heteroanionic Stabilization of Ni$^{1+}$ with Nonp…
Motivated by the recently proposed alternating single-layer trilayer stacking structure for the nickelate La$_3$Ni$_2$O$_7$, we comprehensively study this system using {\it ab initio} and random-phase approximation techniques. Our analysis…
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…
Using DFT+DMFT we study the normal-state electronic structure and magnetic correlations of the recently discovered alternating single-layer bilayer Raddlesden-Popper nickelate La$_5$Ni$_3$O$_{11}$ (1212-LNO). Our results exhibit qualitative…
The discovery of superconductivity in bulk Ruddlesden-Popper La$_3$Ni$_2$O$_7$(LNO327) under high hydrostatic pressure has redefined the recent experimental consensus that nickelate superconductivity is restricted to systems with a $3d^9$…
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…
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$20 K, in addition to the infinite-layer and bilayer systems. Motivated…
Since the discovery of cuprate, the origin of high-T$_c$ superconductivity has been an outstanding puzzle. Recently, high-T$_c$ superconductivity was observed in a bilayer nickelate La$_3$Ni$_2$O$_7$ under pressure, whose structure hosts…
We investigate the structural and electronic conditions conducive to superconductivity in layered nickelates using density functional theory with Hubbard corrections (DFT+$U$). For both the bilayer and 1-3 polymorphs of La$_3$Ni$_2$O$_7$,…
Superconductivity has been demonstrated in the family of multi-layered nickelates La$_3$Ni$_2$O$_7$ and La$_4$Ni$_3$O$_{10}$. Key questions remain open regarding the low-energy electronic states that support superconductivity in these…
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…
Ruddlesden-Popper nickelates offer a new route to high-temperature superconductivity beyond the cuprates and iron-pnictides. However, the electronic reorganization that enables superconductivity in bilayer nickelates remain unresolved,…
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…
The discovery of high-T$_c$ superconductor in Ruddlesden-Popper nickelate materials represented by La$_3$Ni$_2$O$_7$ has opened new directions in the quest for unconventional superconductivity. A central unresolved issue concerns the…
Nickel-based superconductors provide a long-awaited experimental platform to explore possible cuprate-like superconductivity. Despite similar crystal structure and $d$ electron filling, these systems exhibit several differences. Nickelates…
The discovery of superconductivity in Ruddlesden-Popper nickelates has established a new frontier in the study of high-temperature superconductors. However, the underlying pairing mechanism and its relationship to the material's electronic…
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+…
Motivated by the recent observation of superconductivity in the pressurized trilayer La$_4$Ni$_3$O$_{10}$ Ruddlesden-Popper (RP) nickelate, we explore its structural, electronic, and magnetic properties as a function of hydrostatic pressure…
To investigate the detailed magnetic properties of a recently discovered superconducting nickelate Nd6Ni5O12, we performed the first-principles electronic structure calculation based on density functional theory. The band dispersion,…
We report a comprehensive theoretical analysis of the Ruddlesden-Popper layered nickelates La$_{m+1}$Ni$_m$O$_{3m+1}$ ($m = 1$ to 6) under pressure. Our results suggest that, while these Ruddlesden-Popper layered nickelates display many…
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…