Electronic instability, layer selectivity and Fermi arcs in La${}_3$Ni${}_2$O${}_7$

Abstract

Using advanced dynamical mean-field theory on a realistic level we study the normal-state correlated electronic structure of the high-pressure superconductor La${}_3$Ni${}_2$O${}_7$ and compare the features of the conventional bilayer (2222) Ruddelsden-Popper crystal structure with those of a newly-identified monolayer-trilayer (1313) alternation. Both structural cases display Ni-$d_{z^2}$ flat-band character at low-energy, which drives an electronic instability with a wave vector ${\mathbf{q}}_{\mathrm{I}}=(0.25,0.25,q_z)$ at ambient pressure, in line with recent experimental findings. The 1313 electronic structure exhibits significant layer selectivity, rendering especially the monolayer part to be Mott-critical. At high pressure, this layer selectivity weakens and the 1313 fermiology displays arcs reminiscent to those of high-$T_c$ cuprates. In contrast to dominant inter-site self-energy effects in the latter systems, here the Fermi arcs are the result of the multiorbital and multilayer interplay within a correlated flat-band scenario.

7 pages, 4 figures

References in corpus (43)

• Angle-resolved photoemission spectroscopy of the cuprate superconductors
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• A continuous-time solver for quantum impurity models
• Superconductivity near 80 Kelvin in single crystals of La3Ni2O7 under pressure
• TRIQS: A Toolbox for Research on Interacting Quantum Systems
• Antiferromagnetism and d-wave superconductivity in cuprates: a uster DMFT study
• Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO
• Superconducting Dome in Nd${}_{1-x}$Sr${}_x$NiO${}_2$ Infinite Layer Films
• Phase diagram and superconducting dome of infinite-layer $\mathrm{N}{\mathrm{d}}_{1-\mathrm{x}}\mathrm{S}{\mathrm{r}}_{\mathrm{x}}\mathrm{Ni}{\mathrm{O}}_2$ thin films
• TRIQS/CTHYB: A Continuous-Time Quantum Monte Carlo Hybridization Expansion Solver for Quantum Impurity Problems
• 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
• Visualization of Oxygen Vacancies and Self-doped Ligand Holes in La3Ni2O7-δ
• Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
• 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
• Late transition-metal oxides with infinite-layer structure: Nickelates versus cuprates
• 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
• 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${}_7$
• Evidence for charge and spin order in single crystals of La${}_3$Ni${}_2$O${}_7$ and La${}_3$Ni${}_2$O${}_6$
• Electronic structure, dimer physics, orbital-selective behavior, and magnetic tendencies in the bilayer nickelate superconductor La${}_3$Ni${}_2$O${}_7$ under pressure
• Cluster Dynamical Mean Field analysis of the Mott transition
• Pressure-induced superconductivity in polycrystalline La3Ni2O7
• Correlated electronic structure, orbital-selective behavior, and magnetic correlations in double-layer La${}_3$Ni${}_2$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
• Pressure Driven Fractionalization of Ionic Spins Results in Cupratelike High-$T_c$ Superconductivity in La${}_3$Ni${}_2$O${}_7$
• Long-Range Structural Order in a Hidden Phase of Ruddlesden-Popper Bilayer Nickelate La${}_3$Ni${}_2$O${}_7$
• Approaching finite-temperature phase diagrams of strongly correlated materials: a case study for V2O3
• Competing d${}_{xy}$ and s${}_{\pm }$ Pairing Symmetries in Superconducting La${}_3$Ni${}_2$O${}_7$ emerge from LDA+FLEX Calculations
• Magnetic response of Sr${}_2$RuO${}_4$: quasi-local spin fluctuations due to Hund's coupling
• Dynamical Mean Field Studies of Infinite Layer Nickelates: Physics Results and Methodological Implications
• Theory of magnetic excitations in multilayer nickelate superconductor La${}_3$Ni${}_2$O${}_7$
• 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${}_7$
• Benchmark of a modified Iterated Perturbation Theory approach on the 3d FCC lattice at strong coupling
• Design and synthesis of three-dimensional hybrid Ruddlesden-Popper nickelate single crystals
• Interplay of charge-transfer and Mott-Hubbard physics approached by an efficient combination of self-interaction correction and dynamical mean-field theory
• Competing orders in Na${}_x$CoO${}_2$ from strong correlations on a two-particle level
• Multi-orbital nature of the spin fluctuations in Sr${}_2$RuO${}_4$
• Assessing the correlated electronic structure of lanthanum nickelates
• Exploration of the Hg-based cuprate superconductors by Raman spectroscopy under hydrostatic pressure

Cited by in corpus (20)

• Electronic Correlation and Pseudogap-like Behavior of High-Temperature Superconductor La3Ni2O7
• 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${}_7$
• Assessing the formation of spin and charge stripes in La${}_3$Ni${}_2$O${}_7$ from first-principles
• Microscopic evidence of charge- and spin-density waves in La${}_3$Ni${}_2$O${}_{7-\delta }$ revealed by ${}^{139}$La-NQR
• Electronic correlations, layer distinction, and electron doping in the alternating single-layer trilayer La${}_3$Ni${}_2$O${}_7$ polymorph
• Impact of Pressure and Apical Oxygen Vacancies on Superconductivity in La${}_3$Ni${}_2$O${}_7$
• DFT+DMFT study of correlated electronic structure in the monolayer-trilayer phase of La${}_3$Ni${}_2$O${}_7$
• Interlayer interactions in ${\text{La}}_3{\text{Ni}}_2{\text{O}}_7$ under pressure: from $s^{\pm }$ to $d_{xy}$-wave superconductivity
• Highly asymmetric superconducting dome and strange metallicity in La${}_3$Ni${}_2$O${}_7$
• Superconductivity in La${}_4$Ni${}_3$O${}_{10}$ Under Pressure
• Superconductivity governed by Janus-faced fermiology in strained bilayer nickelates
• Spontaneous layer selective Mott phase in the bilayer Hubbard model
• Theory of potential impurity scattering in pressurized superconducting La${}_3$Ni${}_2$O${}_7$
• Electronic correlations and spin-charge-density stripes in double-layer La${}_3$Ni${}_2$O${}_7$
• Universal electronic structure of multi-layered nickelates via oxygen-centered planar orbitals
• Structural stability, electronic structure, and magnetic properties of the single-layer trilayer La3Ni2O7 polymorph
• Pairing mechanism and superconductivity in 1313 phase La${}_3$Ni${}_2$O${}_7$
• Magnetically Mediated Cross-Layer Pairing in Pressurized Trilayer Nickelate La${}_4$Ni${}_3$O${}_{10}$
• Effect of doping on the electronic structure, orbital-dependent renormalizations, and magnetic correlations in bilayer La${}_3$Ni${}_2$O${}_7$