相关论文: Materials design of dynamically stable $d^9$ layer…
The recent observation of superconductivity in Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ has raised fundamental questions about the hierarchy of the underlying electronic structure. Calculations suggest that this system falls in the Mott-Hubbard regime,…
The recent observation of superconductivity in infinite-layer nickelates has brought intense debate on the established knowledge of unconventional superconductivity based on the cuprates. Despite many similarities, the nickelates differ…
The discovery of superconductivity in square-planar nickelates has offered a rich materials platform to explore the origins of cuprate-like superconductivity. Experimental investigations however have largely been limited to the…
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…
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,…
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 square-planar layered nickelates R$_{n+1}$Ni$_n$O$_{2n+2}$ (R= Nd, $n=4-7$) have been recently shown to be superconducting without the need for chemical doping or pressure. Here, we examine the electronic structure of the analog…
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…
Despite exhibiting a similar $d_{x^2-y^2}$ band character to cuprates, infinite-layer nickelates host additional electron pockets that distinguish them from single-band cuprates. The elusive orbital origin of these electron pockets has led…
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 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 pentalayer nickelate Nd$_6$Ni$_5$O$_{12}$ [Nature Materials 10.1038], we calculate its electronic structure and superconducting critical temperature. We find that electronic…
Recently discovered superconducting infinite-layer nickelates $R$NiO$_2$ ($R$=Nd, La, Pr) attracts increasing attention as a similar system to cuprates. Both $R$NiO$_2$ and YBCO cuprates display the three-dimensional (3D) CDW with wave…
Within a Hubbard model, we investigate the superconducting pairing behavior of infinite-layer nickelate $\mathrm{NdNiO_2}$ and cuprate superconductors by using the determinant quantum Monte Carlo method. Our focus is on comparing their…
We review the electronic structure of nickelate superconductors with and without effects of electronic correlations. As a minimal model we identify the one-band Hubbard model for the Ni 3$d_{x^2-y^2}$ orbital plus a pocket around the…
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…
Motivated by the recently reported signatures of superconductivity in trilayer La$_4$Ni$_3$O$_{10}$ under pressure, we comprehensively study this system using {\it ab initio} and random-phase approximation techniques. Without electronic…
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…
Recently superconductivity at 9 - 15 K was discovered in an infinite-layer nickelate (Nd$_{0.8}$Sr$_{0.2}$NiO$_2$ films), which has received enormous attention. Since the $Ni^{1+}$ ionic state in NdNiO$_2$ may have the $3d^9$ outer-shell…
The recently discovered superconductivity in Nd$_{1-x}$Sr$_x$NiO$_2$ provides a new opportunity for studying strongly correlated unconventional superconductivity. The single-hole Ni$^+$ ($3d^9$) configuration in the parent compound…