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Inter-layer valence bonds and two-component theory for high-$T_c$ superconductivity of La$_{3}$Ni$_{2}$O$_{7}$ under pressure

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arxiv 2308.01176 v2 pith:YZVTCSWC submitted 2023-08-02 cond-mat.supr-con cond-mat.str-el

classification cond-mat.supr-concond-mat.str-el
keywords high-couplingelectronsmodelstrongsuperconductivitybilayerhigh
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abstract

The recent discovery of high-$T_{c}$ superconductivity in bilayer nickelate La$_{3}$Ni$_{2}$O$_{7}$ under high pressure has stimulated great interest concerning its pairing mechanism. We argue that the weak coupling model from the almost fully-filled $d_{z^{2}}$ bonding band cannot give rise to its high $T_{c}$, and thus propose a strong coupling model based on local inter-layer spin singlets of Ni-$d_{z^{2}}$ electrons due to their strong on-site Coulomb repulsion. This leads to a minimal effective model that contains local pairing of $d_{z^{2}}$ electrons and a considerable hybridization with near quarter-filled itinerant $d_{x^{2}-y^{2}}$ electrons on nearest-neighbor sites. Their strong coupling provides a unique two-component scenario to achieve high-$T_{c}$ superconductivity. Our theory highlights the importance of the bilayer structure of superconducting La$_{3}$Ni$_{2}$O$_{7}$ and points out a potential route for the exploration of more high-$T_{c}$ superconductors.

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  1. Pressure-tunable structural instabilities in single-layer-trilayer La$_3$Ni$_2$O$_7$

    cond-mat.supr-con 2024-12 conditional novelty 6.0 of 10

    DFT phonon calculations show the P4/mmm phase of single-layer-trilayer La3Ni2O7 is unstable at all pressures up to 30 GPa, and the lowest-energy distortions combine two instabilities, contrary to experimental refinements.

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