相关论文: Electronic structure and superconducting propertie…

First-principles calculations of the electronic structure of members of the $R$NiC$_2$ series are presented, and their Fermi surfaces investigated for nesting propensities which might be linked to the charge-density waves exhibited by…

Determining the electronic structure of La$_3$Ni$_2$O$_7$ is an essential step towards uncovering their superconducting mechanism. It is widely believed that the bilayer apical oxygens play an important role in the bilayer La$_3$Ni$_2$O$_7$…

By using first-principles density functional theory calculations for (LaNiO3)m/(SrTiO3)n superlattices, we report a systematic way of electronic response to the interface geometry. It is found that Fermi level density of states of metallic…

The discovery of superconductivity in infinite-layer nickelates has ignited stark interest within the scientific community, particularly regarding its likely unconventional origin. Conflicting magnetotransport measurements report either…

The novel nickelate superconductors of infinite-layer type feature challenging electronic pecularities in the normal-state phase diagram with doping. Distinct many-body behavior and different dispersion regimes of the entangled…

Fundamental understanding and control of the electronic structure evolution in rare-earth nickelates is a fascinating and meaningful issue, as well as being helpful to understand the mechanism of recently discovered superconductivity. Here…

We investigate the electronic correlation effects in La$_{2.85}$Pr$_{0.15}$Ni$_2$O$_7$ film grown on SrLaAlO$_4$ by fluctuation-exchange approximation. The $\gamma$ and $\delta$ bands are found to shift down with correlation while their…

A defining signature of strongly correlated electronic systems is the existence of competing phases with similar ground state energies, resulting in a rich phase diagram. While in the recently discovered nickelate superconductors, a high…

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…

Recently, evidences of superconductivity (SC) with onset $T_c$ above the McMillan limit have been detected in the La$_3$Ni$_2$O$_7$ ultrathin film grown on the LaSrAlO$_4$ substrate at ambient pressure. This progress opens a new era in the…

We theoretically propose a possibility of realizing high $T_c$ superconductivity having $s\pm$-wave symmetry in the heavily hole-doped infinite layer nickelates La$_{1-x}$Sr$_x$NiO$_2$. We consider situations where the original $P4/mmm$…

The discovery of superconductivity in Sr-doped NdNiO$_{2}$ is a crucial breakthrough in the long pursuit for nickel oxide materials with electronic and magnetic properties similar to those of the cuprates. NdNiO$_2$ is the infinite-layer…

The recent observation of unconventional superconductivity in thin films of LaNiO2 (critical temperature, Tc~10 K) and in bulk single crystals of La3Ni2O7 (327) under pressure (Tc~80 K), has brought to light a long sought-after class of…

Motivated by the discovery of superconductivity in infinite-layer nickelates RNiO$_2$ (R= rare-earth), and the subsequent enhancement of their T$_c$ with pressure, we investigate the evolution of the electronic structure and magnetic…

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…

We present a theoretical study of the effect of electron-electron interactions and Sr doping on the electronic structure of infinite-layer (Nd,Sr)NiO$_2$ using the density functional+dynamical mean-field theory approach. In particular, we…

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$_7$,…

The discovery of superconductivity at 80 K under high pressure in La$_3$Ni$_2$O$_7$ presents the groundbreaking confirmation that high-$T_c$ superconductivity is a property of strongly correlated materials beyond cuprates. We use density…

We report electronic structure calculations for the layered centrosymmetric superconductor LaNiGa$_2$, which has been identified as having a possible triplet state based on evidence for time reversal symmetry breaking. The Fermi surface has…

We demonstrate that dynamical electron correlation and fluctuating local magnetic moments are crucial for the phonon spectra of the infinite-layer nickelate superconductor, LaNiO$_2$, using DFT plus dynamical mean-field theory (DFT+DMFT)…