Summary
Using a first-principles six-band three-layer multiorbital model, the authors treat electronic correlations within the FLEX approximation and investigate charge density wave instability in La4Ni3O10 using density-wave equations with vertex corrections, while analyzing superconducting pairing by combining FLEX and the Bethe–Salpeter method. They find that short-range spin density wave fluctuations near Qsdw on the outer NiO2 layers generate, through quantum interference, an inter-outer-layer bond order with Qcdw ≈ 2Qsdw; this bond order further induces an inner-layer-centered orbital density wave, which anti-phase modulates the occupancies of Ni d3z2-r2 and dx2-y2 orbitals, producing strong orbital polarization but only weak total charge modulation. This intertwined bond and orbital order explains the layer-selective electronic reconstruction inferred from NMR/NQR and is consistent with Raman spectroscopy and scanning tunneling microscopy results. Because the charge density wave has even mirror parity and the spin density wave has odd mirror parity, their fluctuations can cooperatively stabilize s±-wave superconductivity through Mz mirror-parity selection rules. This work provides a unified microscopic framework for intertwined density-wave orders and high-temperature superconductivity in multilayer nickelates.
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