Band Structure and Pairing Nature of La${}_3$Ni${}_2$O${}_7$ Thin Film at Ambient Pressure

Abstract

Recently, evidences of superconductivity (SC) with onset $T_c$ above the McMillan limit have been detected in the La${}_3$Ni${}_2$O${}_7$ ultrathin film grown on the LaSrAlO${}_4$ substrate at ambient pressure. This progress opens a new era in the field of the nickelate superconductors. Here we perform a density-functional-theory (DFT) based calculation for the band structure of this material. The obtained DFT+$U$ band structure has the feature that the bonding $d_{z^2}$ band crosses the Fermi level, forming the hole pocket $\gamma$, consistent with the angle-resolved photoemission spectrum (ARPES). Taking the low-energy Ni-$(3d_{z^2},3d_{x^2-y^2})$ orbitals placed on the tetragonal lattice structure, we construct a 2D bilayer four-band tight-binding model which well captures the main features of the DFT+$U$ band structure. Then considering the multi-orbital Hubbard interaction, we adopt the random-phase approximation (RPA) approach to investigate the pairing nature. The obtained pairing symmetry is $s^{\pm }$ or $d_{xy}$ for the hole-doping level $\delta$ below or above 0.12, induced by the different Fermi surface nesting situations. For the realistic $\delta =0.21$ measured by the ARPES, our RPA calculations obtain the next-nearest-neighbor pairing $d_{xy}$-wave SC dominated by the $d_{z^2}$ orbital, consistent with the experimental observation that the $T_c$ enhances with the shrinking of the in-plane lattice constants. This pairing state is induced by the nesting between the different patches within the $\gamma$ pocket. Our results appeal for experimental verifications.

4.5 pages, 5 figures with Appendix

References in corpus (72)

• Unconventional pairing originating from disconnected Fermi surfaces in superconducting LaFeAsO${}_{1-x}$F${}_x$}
• Near-degeneracy of several pairing channels in multiorbital models for the Fe-pnictides
• Superconductivity near 80 Kelvin in single crystals of La3Ni2O7 under pressure
• High-temperature superconductivity with zero-resistance and strange metal behavior in La${}_3$Ni${}_2$O${}_{7-\delta }$
• Bilayer two-orbital model of La${}_3$Ni${}_2$O${}_7$ under pressure
• Superconductivity in pressurized trilayer La${}_4$Ni${}_3$O${}_{10-\delta }$ single crystals
• Visualization of Oxygen Vacancies and Self-doped Ligand Holes in La3Ni2O7-δ
• Possible $S_{\pm }$-wave superconductivity in La${}_3$Ni${}_2$O${}_7$
• The s${}^{\pm }$-Wave Pairing and the Destructive Role of Apical-Oxygen Deficiencies in La${}_3$Ni${}_2$O${}_7$ Under Pressure
• Possible high $T_c$ Superconductivity in La${}_3$Ni${}_2$O${}_7$ under High Pressure through Manifestation of a Nearly-Half-Filled Bilayer Hubbard Model
• Electronic correlations and superconducting instability in La${}_3$Ni${}_2$O${}_7$ under high pressure
• Correlated electronic structure of La${}_3$Ni${}_2$O${}_7$ under pressure
• Interlayer Coupling Driven High-Temperature Superconductivity in La${}_3$Ni${}_2$O${}_7$ Under Pressure
• Orbital-Dependent Electron Correlation in Double-Layer Nickelate La3Ni2O7
• Bilayer $t$-$J$-$J_{\perp }$ Model and Magnetically Mediated Pairing in the Pressurized Nickelate La${}_3$Ni${}_2$O${}_7$
• Effective bi-layer model Hamiltonian and density-matrix renormalization group study for the high-Tc superconductivity in La${}_3$Ni${}_2$O${}_7$ under high pressure
• Electronic structure, dimer physics, orbital-selective behavior, and magnetic tendencies in the bilayer nickelate superconductor La${}_3$Ni${}_2$O${}_7$ under pressure
• Ambient-pressure superconductivity onset above 40 K in bilayer nickelate ultrathin films
• Pressure-induced superconductivity in polycrystalline La3Ni2O7
• Structural phase transition, $s_{\pm }$-wave pairing and magnetic stripe order in the bilayered nickelate superconductor La${}_3$Ni${}_2$O${}_7$ under pressure
• Signature of superconductivity in pressurized La${}_4$Ni${}_3$O${}_{10}$
• High Temperature Superconductivity in La${}_3$Ni${}_2$O${}_7$
• High-$T_c$ superconductivity by mobilizing local spin singlets and possible route to higher $T_c$ in pressurized La${}_3$Ni${}_2$O${}_7$
• Theoretical analysis on the possibility of superconductivity in a trilayer Ruddlesden-Popper nickelate La${}_4$Ni${}_3$O${}_{10}$ under pressure and its experimental examination: comparison with La${}_3$Ni${}_2$O${}_7$
• Flat bands promoted by Hund's rule coupling in the candidate double-layer high-temperature superconductor La${}_3$Ni${}_2$O${}_7$
• Correlated electronic structure, orbital-selective behavior, and magnetic correlations in double-layer La${}_3$Ni${}_2$O${}_7$ under pressure
• Structure responsible for the superconducting state in La3Ni2O7 at high pressure and low temperature conditions
• Charge Transfer and Zhang-Rice Singlet Bands in the Nickelate Superconductor $\mathrm{L}{\mathrm{a}}_3\mathrm{N}{\mathrm{i}}_2{\mathrm{O}}_7$ under Pressure
• Polymorphism in Ruddlesden-Popper $L{a}_{3}N{i}_2{O}_7$: Discovery of a Hidden Phase with Distinctive Layer Stacking
• Pairing symmetry in a two-orbital Hubbard model on a square lattice
• Correlation Effects and Concomitant Two-Orbital $s_{\pm }$-Wave Superconductivity in La${}_3$Ni${}_2$O${}_7$ under High Pressure
• Trends in electronic structures and $s_{\pm }$-wave pairing for the rare-earth series in bilayer nickelate superconductor $R_3$Ni${}_2$O${}_7$
• Effects of Pressure and Doping on Ruddlesden-Popper phases Lan+1NinO3n+1
• Electron correlations and superconductivity in La${}_3$Ni${}_2$O${}_7$ under pressure tuning
• High-T${}_C$ superconductivity in $\mathrm{L}{\mathrm{a}}_3\mathrm{N}{\mathrm{i}}_2{\mathrm{O}}_7$ based on the bilayer two-orbital t-J model
• Unconventional crystal structure of the high-pressure superconductor La${}_3$Ni${}_2$O${}_7$
• Pressure Driven Fractionalization of Ionic Spins Results in Cupratelike High-$T_c$ Superconductivity in La${}_3$Ni${}_2$O${}_7$
• Impurity and vortex States in the bilayer high-temperature superconductor ${\mathrm{La}}_3{\mathrm{Ni}}_2{\mathrm{O}}_7$
• Superconductivity in nickelate and cuprate superconductors with strong bilayer coupling
• Structural transitions, octahedral rotations, and electronic properties of $A_3$Ni${}_2$O${}_7$ rare-earth nickelates under high pressure
• Identification of the superconductivity in bilayer nickelate La${}_3$Ni${}_2$O${}_7$ upon 100 GPa
• Competing d${}_{xy}$ and s${}_{\pm }$ Pairing Symmetries in Superconducting La${}_3$Ni${}_2$O${}_7$ emerge from LDA+FLEX Calculations
• Structural transition, electric transport, and electronic structures in the compressed trilayer nickelate La4Ni3O10
• Quenched pair breaking by interlayer correlations as a key to superconductivity in La${}_3$Ni${}_2$O${}_7$
• Superconductivity in trilayer nickelate La4Ni3O10 under pressure
• Effective model and pairing tendency in bilayer Ni-based superconductor La${}_3$Ni${}_2$O${}_7$
• Pair correlations in the two-orbital Hubbard ladder: Implications on superconductivity in the bilayer nickelate La${}_3$Ni${}_2$O${}_7$
• Angle-resolved photoemission spectroscopy of superconducting (La,Pr)3Ni2O7/SrLaAlO4 heterostructures
• Hund electronic correlation in La${}_3$Ni${}_2$O${}_7$ under high pressure
• Effective model and $s_{\pm }$-wave superconductivity in trilayer nickelate La${}_4$Ni${}_3$O${}_{10}$
• Strong Pairing Originated from an Emergent ${\mathbb{Z}}_2$ Berry Phase in La${}_3$Ni${}_2$O${}_7$
• Structural routes to stabilise superconducting La${}_3$Ni${}_2$O${}_7$ at ambient pressure
• Prediction of $s^{\pm }$-wave superconductivity enhanced by electronic doping in trilayer nickelates La${}_4$Ni${}_3$O${}_{10}$ under pressure
• Theory of magnetic excitations in multilayer nickelate superconductor La${}_3$Ni${}_2$O${}_7$
• The electronic and magnetic structures of bilayer La${}_3$Ni${}_2$O${}_7$ at ambient pressure
• Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer La${}_3$Ni${}_2$O${}_6$ under pressure: different role of $d_{3z^2-r^2}$ orbital compared with La${}_3$Ni${}_2$O${}_7$
• Trilayer multi-orbital models of $\mathrm{L}{\mathrm{a}}_4\mathrm{N}{\mathrm{i}}_3{\mathrm{O}}_{10}$
• Non-Fermi Liquid and Hund Correlation in La${}_4$Ni${}_3$O${}_{10}$ under High Pressure
• Electronic Correlation and Pseudogap-like Behavior of High-Temperature Superconductor La3Ni2O7
• Absence of phonon-mediated superconductivity in La${}_3$Ni${}_2$O${}_7$ under pressure
• Charge and spin instabilities in superconducting La${}_3$Ni${}_2$O${}_7$
• Effect of Rare-earth Element Substitution in Superconducting R${}_3$Ni${}_2$O${}_7$ Under Pressure
• Design and synthesis of three-dimensional hybrid Ruddlesden-Popper nickelate single crystals
• Optical properties and electronic correlations in La${}_3$Ni${}_2$O${}_7$ bilayer nickelates under high pressure
• Signature of Superconductivity in Pressurized Trilayer-nickelate Pr${}_4$Ni${}_3$O${}_{10-\delta }$
• The $s^{\pm }$-Wave Superconductivity in the Pressurized La${}_4$Ni${}_3$O${}_{10}$
• Electronic structure, self-doping, and superconducting instability in the alternating single-layer trilayer stacking nickelates La${}_3$Ni${}_2$O${}_7$
• Electronic properties of nickelate superconductor R3Ni2O7 with oxygen vacancies
• High-pressure crystal growth and investigation of the metal-to-metal transition of Ruddlesden-Popper trilayer nickelates La${}_4$Ni${}_3$O${}_{10}$
• Modulation of the Octahedral Structure and Potential Superconductivity of La${}_3$Ni${}_2$O${}_7$ through Strain Engineering
• Decomposition of multilayer superconductivity with interlayer pairing
• Lifshitz transition enhanced triplet $p_z$-wave superconductivity in hydrogen doped KCr${}_3$As${}_3$

Cited by in corpus (11)

• Correlated electronic structures and unconventional superconductivity in bilayer nickelate heterostructures
• 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
• Pairing Symmetry Crossover from $d$-wave to $s_{\pm }$-wave in a Bilayer Nickelate Driven by Hund's Coupling and Crystal Field Splitting
• 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
• Raman response in superconducting multiorbital systems with application to nickelates
• Pauli-limited upper critical field and anisotropic depairing effect of La2.82Sr0.18Ni2O7 superconducting thin film