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

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arxiv 2311.07316 v2 pith:XTOSPMHG submitted 2023-11-13 cond-mat.supr-con cond-mat.mtrl-scicond-mat.str-el

classification cond-mat.supr-concond-mat.mtrl-scicond-mat.str-el
keywords pairingsymmetrycrystalfieldsplittingdependencefermisensitive
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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.

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  1. Orbital-selective correlation effects and superconducting pairing symmetry in a multiorbital $t$-$J$ model for bilayer nickelates

    cond-mat.supr-con 2025-02 conditional novelty 5.0 of 10

    In a bilayer two-orbital t-J model for La3Ni2O7, the leading pairing is either extended s-wave or d_{x^2-y^2}-wave, and moving the z2 bonding band through the Fermi level switches the dominant pairing orbital from z2 ...

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