Correlated electronic structures and unconventional superconductivity in bilayer nickelate heterostructures

Abstract

The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we construct a realistic multi-orbital Hubbard model for the thin-film system, by integrating ab initio calculations with scanning transmission electron microscopy (STEM) measurements, which reveal a higher-symmetry lattice. The interaction parameters are calculated with the constrained random phase approximation (cRPA). Density functional theory (DFT) plus cluster dynamical mean-field theory (CDMFT) calculations, with cRPA calculated on-site Coulomb repulsive $U$ and experimentally measured electron filling $n$, quantitatively reproduces Fermi surfaces from angle-resolved photoemission spectroscopy (ARPES) experiments. The distinct Fermi surface topology from simple DFT+$U$ results features the indispensable role of correlation effects. Based upon the correlated electronic structures, A modified random-phase-approximation (RPA) approach yields a pronounced $s^{\pm }$-wave pairing instability, due to the strong spin fluctuations originated from Fermi surface nesting between bands with predominantly $d_{z^2}$ characters. Our findings highlight the quantitative effectiveness of the DFT+cRPA+CDMFT approach that precisely determines correlated electronic structure parameters without fine-tuning. The revealed intermediate correlation effect may explain the same order-of-magnitude onset $T_C$ observed both in pressured bulk and strained thin film bilayer nickelates.

4 figures and 3 tables in main manuscript. 9 figures and 2 tables in supplementary material

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• Superconductivity and Electronic Structures of Nickelate Thin Film Superstructures
• Impact of Pressure and Apical Oxygen Vacancies on Superconductivity in La${}_3$Ni${}_2$O${}_7$
• Electronic structures and multi-orbital models of La${}_3$Ni${}_2$O${}_7$ thin films at ambient pressure
• Effective perpendicular electric field as a probe for interlayer pairing in ambient-pressure superconducting La${}_{2.85}$Pr${}_{0.15}$Ni${}_2$O${}_7$ thin films
• Superconducting Dome in ${\mathrm{La}}_{3-x}{\mathrm{Sr}}_x{\mathrm{Ni}}_2{\mathrm{O}}_{7-\delta }$ Thin Films
• Strong-coupling study of the pairing mechanism in pressurized La${}_3$Ni${}_2$O${}_7$
• Possible Liquid-Nitrogen-Temperature Superconductivity Driven by Perpendicular Electric Field in the Single-Bilayer Film of La${}_3$Ni${}_2$O${}_7$ at Ambient Pressure
• Strain-Engineered Electronic Structure and Superconductivity in La${}_3$Ni${}_2$O${}_7$ Thin Films
• Superconductivity governed by Janus-faced fermiology in strained bilayer nickelates
• Unifying Strain-driven and Pressure-driven Superconductivity in La${}_3$Ni${}_2$O${}_7$: Suppressed charge/spin density waves and enhanced interlayer coupling
• Optical control of the crystal structure in the bilayer nickelate superconductor La3Ni2O7 via nonlinear phononics
• Pairing Symmetry Crossover from $d$-wave to $s_{\pm }$-wave in a Bilayer Nickelate Driven by Hund's Coupling and Crystal Field Splitting
• Superexchanges and Charge Transfer in the La${}_3$Ni${}_2$O${}_7$ Thin Films
• Robust $s_{\pm }$-wave pairing in a bilayer two-orbital model of pressurized La${}_3$Ni${}_2$O${}_7$ without the $\gamma$ Fermi surface
• Quantum phase transition driven by competing intralayer and interlayer hopping in bilayer nickelates
• Unified mechanism of charge-density-wave and high-$T_c$ superconductivity protected from oxygen vacancies in bilayer nickelates
• Impact of multiband effects on non-Fermi-liquid transport phenomena in bilayer nickelates
• Progress of ambient-pressure superconductivity in bilayer nickelate thin films
• Theoretical study of the electronic correlation and superconducting pairing in La${}_{2.85}$Pr${}_{0.15}$Ni${}_2$O${}_7$ film grown on SrLaAlO${}_4$
• Weak coupling theory of nickel-based 327 superconductors