Electronic structures and multi-orbital models of La${}_3$Ni${}_2$O${}_7$ thin films at ambient pressure

Abstract

The recent discovery of superconductivity with a transition temperature $T_c$ exceeding 40 K in La${}_3$Ni${}_2$O${}_7$ and (La,Pr)${}_3$Ni${}_2$O${}_7$ thin films at ambient pressure marks a significant breakthrough in the field of nickelate superconductors. Using density functional theory (DFT), we propose a double-stacked two-orbital effective model for La${}_3$Ni${}_2$O${}_7$ thin film based on the Ni$-e_g$ orbitals. Our analysis of the Fermi surface reveals three electron pockets ($\alpha ,{\alpha }^{\prime },\beta$) and two hole pockets ($\gamma ,{\gamma }^{\prime }$), where the additional ${\alpha }^{\prime }$ and ${\gamma }^{\prime }$ pockets arise from inter-stack interactions. Furthermore, we introduce a high-energy model that incorporates O$-p$ orbitals to facilitate future studies. Calculations of spin susceptibility within the random phase approximation (RPA) indicate that magnetic correlations are enhanced by nesting of the $\gamma$ pocket, which is predominantly derived from the Ni$-d_{z^2}$ orbital. Our results provide a theoretical foundation for understanding the electronic and magnetic properties of La${}_3$Ni${}_2$O${}_7$ thin films.

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Cited by in corpus (7)

• Superconductivity and Electronic Structures of Nickelate Thin Film Superstructures
• 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
• Enhanced superconductivity in the compressively strained bilayer nickelate thin films by pressure
• Unified mechanism of charge-density-wave and high-$T_c$ superconductivity protected from oxygen vacancies in bilayer nickelates
• Non-Fermi liquid behavior in La${}_3$Ni${}_2$O${}_7$ thin films under hydrostatic pressure
• Progress of ambient-pressure superconductivity in bilayer nickelate thin films
• Pauli-limited upper critical field and anisotropic depairing effect of La2.82Sr0.18Ni2O7 superconducting thin film