Charge and spin instabilities in superconducting La${}_3$Ni${}_2$O${}_7$

Abstract

Motivated by the recent discovery of superconductivity in La${}_3$Ni${}_2$O${}_7$ under high pressure, we explore its potential charge and spin instabilities through combined model analysis and first-principles calculations. Taking into account the small charge-transfer nature of high valence nickel, a fully correlated two-cluster model identifies a lattice-coupled charge instability characterized by substantial short-range fluctuations of oxygen holes. This instability is corroborated by density-functional-theory plus $U$ calculations that also reveal a strong tendency towards concurrent antiferromagnetic ordering. The charge, spin, and associated lattice instabilities are significantly suppressed with increasing external pressure, contributing to the emergence of superconductivity in pressurized La${}_3$Ni${}_2$O${}_7$. Carrier doping is found to effectively suppress these instabilities, suggesting a viable strategy to stabilize a superconducting phase under ambient pressure.

References in corpus (44)

• Long-range incommensurate charge fluctuations in (Y,Nd)Ba2Cu3O(6+x)
• Theory of Intertwined Orders in High Temperature Superconductors
• Superconductivity near 80 Kelvin in single crystals of La3Ni2O7 under pressure
• Multiplet ligand-field theory using Wannier orbitals
• Resonant x-ray scattering studies of charge order in cuprates
• 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
• Site-selective Mott transition in rare earth nickelates
• A superconducting praseodymium nickelate with infinite layer structure
• Bilayer two-orbital model of La${}_3$Ni${}_2$O${}_7$ under pressure
• Charge disproportionation without charge transfer in the rare-earth nickelates as a possible mechanism for the metal-insulator transition
• 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${}_7$
• Superconductivity in infinite-layer nickelate La${}_{1-x}$Ca${}_x$NiO${}_2$ thin films
• Similarities and differences between infinite-layer nickelates and cuprates and implications for superconductivity
• Robust $d_{x^2-y^2}$-wave superconductivity of infinite-layer nickelates
• Efficient real frequency solver for dynamical mean field theory
• 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
• Orbital-Dependent Electron Correlation in Double-Layer Nickelate La3Ni2O7
• Phase Diagram of Infinite Layer Praseodymium Nickelate Pr${}_{1-x}$Sr${}_x$NiO${}_2$ Thin Films
• Evidence for charge and spin order in single crystals of La${}_3$Ni${}_2$O${}_7$ and La${}_3$Ni${}_2$O${}_6$
• 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
• Antiferromagnetic correlations in the metallic strongly correlated transition metal oxide LaNiO${}_3$
• Signature of superconductivity in pressurized La${}_4$Ni${}_3$O${}_{10}$
• Bond disproportionation and dynamical charge fluctuations in the perovskite rare earth nickelates
• Electronic and magnetic excitations in La${}_3$Ni${}_2$O${}_7$
• Charge density waves in infinite-layer NdNiO${}_2$ nickelates
• Electronic correlations and partial gap in the bilayer nickelate 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${}_7$
• Intertwined density waves in a metallic nickelate
• Charge and spin order dichotomy in NdNiO${}_2$ driven by SrTiO${}_3$ capping layer
• Landscape of competing stripe and magnetic phases in cuprates
• High pressure floating-zone growth of perovskite nickelate LaNiO3 single crystals
• Spin-orbit induced mixed-spin ground state in $R$NiO${}_3$ perovskites probed by XAS: new insight into the metal to insulator transition
• Charge ordering in superconducting copper oxides
• Metal-insulator transition in layered nickelates La${}_3$Ni${}_2$O${}_{7-\delta }$ ($\delta$=0.0, 0.5, 1)
• Site-selective Probe of Magnetic Excitations in Rare-earth Nickelates using Resonant Inelastic X-ray Scattering
• Observation of an antiferromagnetic quantum critical point in high-purity LaNiO${}_3$
• Breathing distortions in the metallic, antiferromagnetic phase of LaNiO${}_3$

Cited by in corpus (24)

• Theory of Pressure Dependence of Superconductivity in Bilayer Nickelate La${}_3$Ni${}_2$O${}_7$
• Bulk superconductivity up to 96 K in pressurized nickelate single crystals
• Resolving the Electronic Ground State of La3Ni2O7-δ Films
• Band Structure and Pairing Nature of La${}_3$Ni${}_2$O${}_7$ Thin Film at Ambient Pressure
• Hund's Rule, Interorbital Hybridization, and High-$T_c$ Superconductivity in the Bilayer Nickelate
• Superconducting gap structure and bosonic mode in La2PrNi2O7 thin films at ambient pressure
• Electronic structures and multi-orbital models of La${}_3$Ni${}_2$O${}_7$ thin films at ambient pressure
• Spin-density wave and superconductivity in La${}_4$Ni${}_3$O${}_{10}$ under ambient pressure
• Strong-coupling study of the pairing mechanism in pressurized La${}_3$Ni${}_2$O${}_7$
• Origin of the Diagonal Double-Stripe Spin-Density-Wave and Potential Superconductivity in Bulk La${}_3$Ni${}_2$O${}_7$ at Ambient Pressure
• Strain-Engineered Electronic Structure and Superconductivity in La${}_3$Ni${}_2$O${}_7$ Thin Films
• 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
• Variational Quantum Monte Carlo investigations of the superconducting pairing in La${}_3$Ni${}_2$O${}_7$
• Fermi surface reconstruction and enhanced spin fluctuations in strained La${}_3$Ni${}_2$O${}_7$ on LaAlO${}_3$(001) and SrTiO${}_3$(001)
• Charge distribution and magnetism in bilayer La${}_3$Ni${}_2$O${}_7$: a hybrid functional study
• Electronic reconstruction and interface engineering of emergent spin fluctuations in compressively strained La${}_3$Ni${}_2$O${}_7$ on SrLaAlO${}_4$(001)
• Superexchanges and Charge Transfer in the La${}_3$Ni${}_2$O${}_7$ Thin Films
• Numerical study of bi-layer two-orbital model for La${}_3$Ni${}_2$O${}_7$ on a plaquette ladder
• Electronic correlations and spin-charge-density stripes in double-layer La${}_3$Ni${}_2$O${}_7$
• Pairing mechanism and superconductivity in pressurized La${}_5$Ni${}_3$O${}_{11}$
• The $s\pm$ pairing symmetry in the pressured La${}_3$Ni${}_2$O${}_7$ from electron-phonon coupling
• 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${}_{10}$
• Interplay of orbital-selective Mott criticality and flat-band physics in La${}_3$Ni${}_2$O${}_6$