Sensitive dependence of pairing symmetry on Ni-$e_g$ crystal field splitting in the nickelate superconductor La${}_3$Ni${}_2$O${}_7$

Abstract

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), maximally-localized-Wannier-function, and linearized gap equation with random-phase-approximation, we find that the pairing symmetry of La${}_3$Ni${}_2$O${}_7$ is $d_{xy}$, if its DFT band structure is accurately reproduced by a downfolded bilayer two-orbital model. More importantly, we reveal that the pairing symmetry of La${}_3$Ni${}_2$O${}_7$ sensitively depends on the crystal field splitting between two Ni-$e_g$ orbitals. A slight increase in Ni-$e_g$ crystal field splitting alters the pairing symmetry from $d_{xy}$ to $s_{\pm }$. Such a transition is associated with the change in inverse Fermi velocity and susceptibility, while the shape of Fermi surface remains almost unchanged. Our work highlights the sensitive dependence of pairing symmetry on low-energy electronic structure in multi-orbital superconductors, which calls for care in the downfolding procedure when one calculates their pairing symmetry.

29 pages and 5 figures

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• Numerical study of bi-layer two-orbital model for La${}_3$Ni${}_2$O${}_7$ on a plaquette ladder
• Extended $s$-wave pairing from an emergent Feshbach resonance in bilayer nickelate superconductors
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• Theoretical investigation of the superconducting pairing symmetry in a bilayer two-orbital model of pressurized La${}_3$Ni${}_2$O${}_7$
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• Compressive Strain Turns $s^{\pm }$ into $d$-Wave Pairing in One-unit-cell La${}_3$Ni${}_2$O${}_7$ Thin Film Via Substrate-Induced Hole Doping
• The $s\pm$ pairing symmetry in the pressured La${}_3$Ni${}_2$O${}_7$ from electron-phonon coupling
• Impact of multiband effects on non-Fermi-liquid transport phenomena in bilayer nickelates
• Progress of ambient-pressure superconductivity in bilayer nickelate thin films
• Pressure and doping effects on the electronic structure and magnetism of the single-layer nickelate La${}_2$NiO${}_4$
• Theoretical study of the electronic correlation and superconducting pairing in La${}_{2.85}$Pr${}_{0.15}$Ni${}_2$O${}_7$ film grown on SrLaAlO${}_4$
• Pauli-limited upper critical field and anisotropic depairing effect of La2.82Sr0.18Ni2O7 superconducting thin film
• Spin triplet pairing by suppressing altermagnetism
• Magnetically Mediated Cross-Layer Pairing in Pressurized Trilayer Nickelate La${}_4$Ni${}_3$O${}_{10}$