The electronic structure and disorder effect of La${}_3$Ni${}_2$O${}_7$ superconductor

Abstract

Determining the electronic structure of La${}_3$Ni${}_2$O${}_7$ is an essential step towards uncovering their superconducting mechanism. It is widely believed that the bilayer apical oxygens play an important role in the bilayer La${}_3$Ni${}_2$O${}_7$ electronic structure. Applying the hybrid exchange-correlation functionals, we obtain a more accurate electronic structure of La${}_3$Ni${}_2$O${}_7$ at its high-pressure phase, where the binding $d_{z^2}$ band is below the Fermi level owing to apical oxygen. The symmetry properties of this electronic structure and its corresponding tight-binding model are further analyzed. We find the antisymmetric part is highly entangled leading to a minimal nearly degenerate two-orbital model. Then, the apical oxygen vacancies effect is studied using the dynamical cluster approximation. This disorder effect strongly destroys the antisymmetric $\beta$ Fermi surface leading to the possible disappearance of superconductivity.

6 pages, 4 figures and appendix

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Cited by in corpus (4)

• Recent progress in nickelate superconductors
• 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
• Self-doped Molecular Mott Insulator for Bilayer High-Temperature Superconducting La3Ni2O7
• Universal electronic structure of multi-layered nickelates via oxygen-centered planar orbitals