July 31, 2023
Motivated by the recent discovery of superconductivity in La$_3$Ni$_2$O$_7$ under pressure, we discuss the basic ingredients of a model that captures its microscopic physics under pressure tuning. We anchor our description in terms of the spectroscopic evidence of strong correlations in this system. In a bilayer Hubbard model including the Ni $3d$ $x^2-y^2$ and $z^2$ orbitals, we show the ground state of the model crosses over from a low-spin $S=1/2$ state to a high-spin $S=3/2$ state. In the high-spin state, the two $x^2-y^2$ and the bonding $z^2$ orbitals are all close to half-filling, which promotes a strong orbital selectivity in a broad crossover regime of the phase diagram pertinent to the system. Based on these results, we construct an effective multiorbital $t$-$J$ model to describe the superconductivity of the system, and find the leading pairing channel to be an intraorbital spin singlet with a competition between the extended $s$-wave and $d_{x^2-y^2}$ symmetries. Our results highlight the role of strong multiorbital correlation effects in driving the superconductivity of La$_3$Ni$_2$O$_7$.
Similar papers 1
June 9, 2023
Inspired by a recent experiment showing that La$_3$Ni$_2$O$_7$ exhibits high $T_c$ superconductivity under high pressure, we theoretically revisit the possibility of superconductivity in this material. We find that superconductivity can take place which is essentially similar to that of the bilayer Hubbard model consisting of the Ni $3d_{3z^2-r^2}$ orbitals. Although the coupling with the $3d_{x^2-y^2}$ orbitals degrades superconductivity, $T_c$ can still be high enough to un...
August 18, 2023
Possible high-$T_c$ superconductivity (SC) has been found experimentally in the bilayer material La$_3$Ni$_2$O$_7$ under high pressure recently, in which the Ni-$3d_{3z^2-r^2}$ and $3d_{x^2-y^2}$ orbitals are expected to play a key role in the electronic structure and the SC. Here we study the two-orbital electron correlations and the nature of the SC using the bilayer two-orbital Hubbard model downfolded from the band structure of La3Ni2O7 in the framework of the dynamical m...
June 8, 2023
Motivated by the report of superconductivity in bilayer La$_3$Ni$_2$O$_7$ at high pressure, we examine the interacting electrons in this system. First-principles many-body theory is utilized to study the normal-state electronic properties. Below 100\,K, a multi-orbital non-Fermi liquid state resulting from loss of Ni-ligand coherence within a flat-band dominated low-energy landscape is uncovered. The incoherent low-temperature Fermi surface displays strong mixing between Ni-$...
July 27, 2023
The newly discovered high-temperature superconductivity in La$_3$Ni$_2$O$_7$ under pressure has attracted a great deal of interests. The essential ingredient characterizing the electronic properties is the bilayer NiO$_2$ planes, in which the two layers couple with each other from the bonding of Ni-$3d_{z^2}$ orbital through the intermediate oxygen-atoms. In the strong coupling limit, an intralayer antiferromagnetic spin-exchange interaction $J_{\parallel}$ between $3d_{x^2-y...
August 31, 2023
The recently discovered high-T$_C$ superconductor La$_3$Ni$_2$O$_7$ has sparked renewed interest in the unconventional superconductivity. Here we study superconductivity in pressurized La$_3$Ni$_2$O$_7$ based on a bilayer two-orbital $t-J$ model, using the renormalized mean-field theory. Our results reveal a robust $s^\pm-$wave pairing driven by the inter-layer $d_{z^2}$ magnetic coupling, which exhibits a transition temperature within the same order of magnitude as the exper...
September 29, 2023
Following the recent report of superconductivity in the bilayer nickelate La$_{3}$Ni$_{2}$O$_{7}$ under pressure, we present an analysis of the electronic and magnetic properties of La$_{3}$Ni$_{2}$O$_{7}$ as a function of pressure using correlated density functional theory methods (DFT+$U$). At the bare DFT level, the electronic structure of the ambient and high-pressure phase of La$_{3}$Ni$_{2}$O$_{7}$ is qualitatively similar. Upon including local correlation effects withi...
July 11, 2023
Recently, a bulk nickelate superconductor $\mathrm{La_3Ni_2O_7}$ is discovered at pressures with a remarkable high transition temperature $T_c \sim 80K$. Here, we study a Hubbard model with tight-binding parameters derived from \textit{ab initio} calculations of $\mathrm{La_3Ni_2O_7}$, by employing large scale determinant quantum Monte Carlo and cellular dynamical mean-field theory. Our result suggests that the superexchange couplings in this system are comparable to that of ...
February 13, 2025
The recent discovery of superconductivity in La$_3$Ni$_2$O$_7$ raises key questions about its mechanism and the nature of pairing symmetry. This system is believed to be described by a bilayer two-orbital Hubbard model. The considerations of orbital-selective Mott correlations motivate a bilayer two-orbital $t$-$J$ model and, accordingly, we study the superconducting pairing in this model. We obtain an overall phase diagram of superconductivity, where the leading channel has ...
January 9, 2025
The recent discovery of superconductivity in the bilayer Ruddlesden-Popper nickelate La3Ni2O7 under high pressure has generated much interest in the superconducting pairing mechanism of nickelates. Various theoretical approaches have been applied to the study of superconductivity in La3Ni2O7, but lead to a number of contradicting results. We argue that different superconducting states in La3Ni2O7 are in close competition and at the same time particularly sensitive to the choi...
June 13, 2023
High-Tc superconductivity with possible $T_{c}\approx 80K$ has been reported in the single crystal of $\text{La}_{3}\text{Ni}_{2}\text{O}_{7}$ under high pressure. Based on the electronic structure given from the density functional theory calculations, we propose an effective bi-layer model Hamiltonian including both $3d_{z^{2}}$ and $3d_{x^{2}-y^{2}}$ orbital electrons of the nickel cations. The main feature of the model is that the $3d_{z^{2}}$ electrons form inter-layer $\...