Superconducting mechanism for the cuprate Ba${}_2$CuO${}_{3+\delta }$ based on a multiorbital Lieb lattice model

Abstract

For the recently discovered cuprate superconductor $\mathrm{B}{\mathrm{a}}_2\mathrm{Cu}{\mathrm{O}}_{3+\delta }$, we propose a lattice structure which resembles the model considered by Lieb to represent the vastly oxygen-deficient material. We first investigate the stability of the Lieb-lattice structure, and then construct a multiorbital Hubbard model based on first-principles calculation. By applying the fluctuation-exchange approximation to the model and solving the linearized Eliashberg equation, we show that $s$-wave and $d$-wave pairings closely compete with each other, and, more interestingly, that the intra-orbital and inter-orbital pairings coexist. We further show that, if the energy of the $d_{3z^2-r^2}$ band is raised to make it "incipient" with the lower edge of the band close to the Fermi level within a realistic band filling regime, $s\pm$-wave superconductivity is strongly enhanced. We reveal an intriguing relation between the Lieb model and the two-orbital model for the usual K${}_2$NiF${}_4$ structure where a close competition between $s-$ and $d-$wave pairings is known to occur. The enhanced superconductivity in the present model is further shown to be related to an enhancement found previously in the bilayer Hubbard model with an incipient band.

19 pages, 20 figures; references and figures updated

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• Flat-Band Enhanced Antiferromagnetic Fluctuations and Superconductivity in Pressurized CsCr${}_3$Sb${}_5$
• Resonant pair-exchange scattering and BCS-BEC crossover in a system composed of dispersive and heavy incipient bands: a Feshbach analogy
• Designing nickelate superconductors with $d^8$ configuration exploiting mixed-anion strategy
• Hidden, one-dimensional, strongly nested, and almost half-filled Fermi surface in Ba${}_2$CuO${}_{3+y}$ superconductors
• Superconducting dome with $extended$ $s$-$wave$ pairing symmetry in the heavily hole-overdoped copper-oxide planes
• Two-band Conduction and Nesting Instabilities in Superconducting Ba${}_2$CuO${}_{3+\delta }$: a First Principles Study
• Crystalline and magnetic structure of Ba2CuO3+δ investigated by x-ray absorption spectroscopy and resonant inelastic x-ray scattering
• Emergent Fano-Feshbach resonance in two-band superconductors with an incipient quasi-flat band: Enhanced critical temperature evading particle-hole fluctuations
• Theoretical study of spin-fluctuation-mediated superconductivity in two-dimensional Hubbard models with an incipient flat band
• Optical signatures of Euler superconductors
• Flat-band hybridization between $f$ and $d$ states near the Fermi energy of SmCoIn${}_5$
• Flat bands in condensed-matter systems -- perspective for magnetism and superconductivity
• Band crossover and magnetic phase diagram of high-Tc superconducting compound Ba2CuO4-δ
• Nodeless $s$-Wave Superconducting Phases in Cuprates with Ba${}_2$CuO${}_3$-Type Structure
• Correlated electronic structure of high-temperature superconductor Ba${}_2$CuO${}_{3+\delta }$
• Theoretical study on the possibility of high $T_c$ s$\pm$-wave superconductivity in the heavily hole-doped infinite layer nickelates
• Phase diagram of a coupled trimer system at half filling using the Hubbard model