Electronic structure and magnetic correlations in trilayer nickelate superconductor La${}_4$Ni${}_3$O${}_{10}$ under pressure

Abstract

It has been recently shown that under pressure trilayer Ruddlesden-Popper nickelate La${}_4$Ni${}_3$O${}_{10}$ (LNO) becomes superconducting below a critical temperature $\sim$20 K, in addition to the infinite-layer and bilayer systems. Motivated by this observation, we explore the effects of electron correlations on its electronic structure and magnetic properties using the advanced DFT+dynamical mean-field theory approach. Our results for the normal-state electronic structure and correlation effects in LNO have much in common with the infinite-layer and bilayer nickelates, with a remarkable site- and orbital-dependent renormalizations of the Ni $3d$ bands and notable incoherence of the Ni $d_{3z^2-r^2}$ states, caused by correlation effects. Our analysis of the Fermi surface and magnetic correlations suggests the emergence of competing spin and charge stripe states, implying the importance of in-plane spin fluctuations to explain superconductivity in this material.

7 pages, 5 figures

References in corpus (56)

• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Continuous-time Monte Carlo methods for quantum impurity models
• Strong electronic correlations from Hund's coupling
• Superconductivity near 80 Kelvin in single crystals of La3Ni2O7 under pressure
• Electronic structure of the parent compound of superconducting infinite-layer nickelates
• 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
• Infinite Layer LaNiO(2): Ni(1+)is not Cu(2+)
• Full orbital calculation scheme for materials with strongly correlated electrons
• Nickelate superconductivity without rare-earth magnetism: (La,Sr)NiO${}_2$
• Possible $S_{\pm }$-wave superconductivity in La${}_3$Ni${}_2$O${}_7$
• Late transition-metal oxides with infinite-layer structure: Nickelates versus cuprates
• Electronic correlations and superconducting instability in La${}_3$Ni${}_2$O${}_7$ under high 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
• Nickelate superconductors -- a renaissance of the one-band Hubbard model
• Correlated electronic structure of La${}_3$Ni${}_2$O${}_7$ under pressure
• 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
• 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
• Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications
• Nickelate superconductors $--$ Multiorbital nature and spin freezing
• Topotactic hydrogen in nickelate superconductors and akin infinite-layer oxides ABO2
• Melting of Quasi-Two-Dimensional Charge Stripes in La5/3Sr1/3NiO4
• Signature of superconductivity in pressurized La${}_4$Ni${}_3$O${}_{10}$
• Many-body Electronic Structure of NdNiO${}_2$ and CaCuO${}_2$
• 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${}_7$
• Charge density waves in infinite-layer NdNiO${}_2$ nickelates
• 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
• Hund's metal physics: from SrNiO${}_2$ to NdNiO${}_2$
• Intertwined density waves in a metallic nickelate
• 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
• Charge and spin order dichotomy in NdNiO${}_2$ driven by SrTiO${}_3$ capping layer
• Intrinsic magnetism in superconducting infinite-layer nickelates
• Lifshitz transition and frustration of magnetic moments in infinite-layer NdNiO${}_2$ upon hole-doping
• 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
• Strong Superexchange in a $d^{9-\delta }$ Nickelate Revealed by Resonant Inelastic X-Ray Scattering
• Spin stripe order in a square planar trilayer nickelate
• Superconducting Instabilities in Strongly-Correlated Infinite-Layer Nickelates
• Dynamical Mean Field Studies of Infinite Layer Nickelates: Physics Results and Methodological Implications
• Universal spin-glass behaviour in bulk LaNiO2, PrNiO2 and NdNiO2
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Antiferromagnetism in Ni-Based Superconductors
• Magnetic exchange coupling in cuprate-analog $d^9$ nickelates
• Emergence of quantum critical charge and spin-state fluctuations near the pressure-induced Mott transition in MnO, FeO, CoO, and NiO
• Low Valence Nickelates: Launching the Nickel Age of Superconductivity
• Effect of epitaxial strain on the electronic structure and magnetic correlations in infinite-layer (Nd,Sr)NiO${}_2$
• Electronic structure of higher-order Ruddlesden-Popper nickelates
• An electronic origin of charge order in infinite-layer nickelates
• Crystal structure stability and electronic properties of layered nickelate La${}_4$Ni${}_3$O${}_{10}$
• Charge-stripe order, antiferromagnetism, and spin dynamics in the cuprate-analog nickelate La${}_4$Ni${}_3$O${}_8$
• Emergent flat-band physics in $d^{9-\delta }$ multilayer nickelates
• Spin-density, charge- and bond-disproportionation wave instability in hole-doped infinite-layer $R$NiO${}_2$
• Correlation-temperature phase diagram of prototypical infinite layer rare earth nickelates
• Comparative study of charge order in undoped infinite-layer nickelate superconductors

Cited by in corpus (24)

• Prediction of $s^{\pm }$-wave superconductivity enhanced by electronic doping in trilayer nickelates La${}_4$Ni${}_3$O${}_{10}$ under pressure
• Trilayer multi-orbital models of $\mathrm{L}{\mathrm{a}}_4\mathrm{N}{\mathrm{i}}_3{\mathrm{O}}_{10}$
• The $s^{\pm }$-Wave Superconductivity in the Pressurized La${}_4$Ni${}_3$O${}_{10}$
• Bulk superconductivity in pressurized trilayer nickelate Pr4Ni3O10 single crystals
• Interlayer Pairing Induced Partially Gapped Fermi Surface in Trilayer La${}_4$Ni${}_3$O${}_{10}$ Superconductors
• Collapse of density wave and emergence of superconductivity in pressurized-La${}_4$Ni${}_3$O${}_{10}$ evidenced by ultrafast spectroscopy
• Electronic correlations, layer distinction, and electron doping in the alternating single-layer trilayer La${}_3$Ni${}_2$O${}_7$ polymorph
• Dichotomy in Low- and High-energy Band Renormalizations in Trilayer Nickelate $L{a}_{4}N{i}_3{O}_{10}$: a Comparison with Cuprates
• Impact of Pressure and Apical Oxygen Vacancies on Superconductivity in La${}_3$Ni${}_2$O${}_7$
• Spin-density wave and superconductivity in La${}_4$Ni${}_3$O${}_{10}$ under ambient pressure
• Superconductivity in La${}_4$Ni${}_3$O${}_{10}$ Under Pressure
• 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
• Origin of the Diagonal Double-Stripe Spin-Density-Wave and Potential Superconductivity in Bulk La${}_3$Ni${}_2$O${}_7$ at Ambient Pressure
• General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate $m$-layered superconductors La${}_{m+1}$Ni${}_m$O${}_{3m+1}$
• Orbital-Selective Quasiparticle Depletion across the Density Wave Transition in Trilayer Nickelate La${}_4$Ni${}_3$O${}_{10}$
• Topotactical Hydrogen Induced Single-Band $d$-wave Superconductivity in La${}_2$NiO${}_4$
• Electronic correlations and spin-charge-density stripes in double-layer La${}_3$Ni${}_2$O${}_7$
• Electronic layer decoupling driven by density-wave order in La${}_4$Ni${}_3$O${}_{10}$
• Multiorbital character of the density wave in trilayer nickelate superconductors
• Unconventional Pressure Dependent Interorbital and Interlayer Doping in Superconducting Nickelates
• Layer-Resolved Impurity States Reveal Competing Pairing Mechanisms in Trilayer Nickelate Superconductor 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${}_7$
• Magnetically Mediated Cross-Layer Pairing in Pressurized Trilayer Nickelate La${}_4$Ni${}_3$O${}_{10}$
• Intertwined Charge and Spin Density Waves in Trilayer Nickelate La${}_4$Ni${}_3$O${}_{10}$ Revealed by ${}^{139}$La NQR