Structural phase transition, $s_{\pm }$-wave pairing and magnetic stripe order in the bilayered nickelate superconductor La${}_3$Ni${}_2$O${}_7$ under pressure

Abstract

Motivated by the recently discovered high-$T_c$ superconductor La${}_3$Ni${}_2$O${}_7$, we comprehensively study this system using density functional theory and random phase approximation calculations. At low pressures, the Amam phase is stable, containing the Y${}^{2-}$ mode distortion from the Fmmm phase, while the Fmmm phase is unstable. Because of small differences in enthalpy and a considerable Y${}^{2-}$ mode amplitude, the two phases may coexist in the range between 10.6 and 14 GPa, beyond which the Fmmm phase dominates. In addition, the magnetic stripe-type spin order with wavevector ($\pi$, 0) was stable at the intermediate region. Pairing is induced in the $s_{\pm }$-wave channel due to partial nesting between the {\bf M}=$(\pi ,\pi )$ centered pockets and portions of the Fermi surface centered at the {\bf X}=$(\pi ,0)$ and {\bf Y}=$(0,\pi )$ points. This resembles results for iron-based superconductors but has a fundamental difference with iron pnictides and selenides. Moreover, our present efforts also suggest that La${}_3$Ni${}_2$O${}_7$ is qualitatively different from infinite-layer nickelates and cuprate superconductors.

Main text (13 pages, 7 figures)+ SM(7 pages, 12 figures)

References in corpus (11)

• Near-degeneracy of several pairing channels in multiorbital models for the Fe-pnictides
• The s${}^{\pm }$-Wave Pairing and the Destructive Role of Apical-Oxygen Deficiencies in La${}_3$Ni${}_2$O${}_7$ Under Pressure
• Orbital-Dependent Electron Correlation in Double-Layer Nickelate La3Ni2O7
• Signature of superconductivity in pressurized La${}_4$Ni${}_3$O${}_{10}$
• Flat bands promoted by Hund's rule coupling in the candidate double-layer high-temperature superconductor La${}_3$Ni${}_2$O${}_7$
• Pairing symmetry in a two-orbital Hubbard model on a square lattice
• Effects of Pressure and Doping on Ruddlesden-Popper phases Lan+1NinO3n+1
• Interpretation of scanning tunneling quasiparticle interference and impurity states in cuprates
• 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${}_7$
• Effective pairing interaction in a system with an incipient band
• Electronic structure and magnetic properties of La${}_3$Ni${}_2$O${}_7$ under pressure: active role of the Ni-$d_{x^2-y^2}$ orbitals

Cited by in corpus (97)

• Orbital-Dependent Electron Correlation in Double-Layer Nickelate La3Ni2O7
• Electronic and magnetic excitations in 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${}_7$
• Correlation Effects and Concomitant Two-Orbital $s_{\pm }$-Wave Superconductivity in La${}_3$Ni${}_2$O${}_7$ under High Pressure
• 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
• Superconductivity in nickelate and cuprate superconductors with strong bilayer coupling
• Neutron Scattering Studies on the High-$T_c$ Superconductor La${}_3$Ni${}_2$O${}_{7-\delta }$ at Ambient Pressure
• 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
• Quenched pair breaking by interlayer correlations as a key to superconductivity in La${}_3$Ni${}_2$O${}_7$
• Sensitive dependence of pairing symmetry on Ni-$e_g$ crystal field splitting in the nickelate superconductor La${}_3$Ni${}_2$O${}_7$
• Angle-resolved photoemission spectroscopy of superconducting (La,Pr)3Ni2O7/SrLaAlO4 heterostructures
• 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${}_7$
• Prediction of $s^{\pm }$-wave superconductivity enhanced by electronic doping in trilayer nickelates La${}_4$Ni${}_3$O${}_{10}$ under pressure
• Structural routes to stabilise superconducting La${}_3$Ni${}_2$O${}_7$ at ambient 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
• Non-Fermi Liquid and Hund Correlation in La${}_4$Ni${}_3$O${}_{10}$ under High Pressure
• Orbital-selective Superconductivity in the Pressurized Bilayer Nickelate La${}_3$Ni${}_2$O${}_7$: An Infinite Projected Entangled-Pair State Study
• Theory of Pressure Dependence of Superconductivity in Bilayer Nickelate La${}_3$Ni${}_2$O${}_7$
• Absence of phonon-mediated superconductivity in La${}_3$Ni${}_2$O${}_7$ under pressure
• Effect of Rare-earth Element Substitution in Superconducting R${}_3$Ni${}_2$O${}_7$ Under Pressure
• Electronic structure and magnetic tendencies of trilayer La${}_4$Ni${}_3$O${}_{10}$ under pressure: structural transition, molecular orbitals, and layer differentiation
• Optical properties and electronic correlations in La${}_3$Ni${}_2$O${}_7$ bilayer nickelates under high pressure
• Antiferromagnetic Ground State, Charge Density Waves and Oxygen Vacancies Induced Metal-Insulator Transition in Pressurized La${}_3$Ni${}_2$O${}_7$
• Resolving the Electronic Ground State of La3Ni2O7-δ Films
• Pair correlations of the hybridized orbitals in a ladder model for the bilayer nickelate La${}_3$Ni${}_2$O${}_7$
• Magnetism and superconductivity in the $t-J$ model of $L{a}_{3}N{i}_2{O}_7$ under multiband Gutzwiller approximation
• Cooperation between electron-phonon coupling and electronic interaction in bilayer nickelates La${}_3$Ni${}_2$O${}_7$
• 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
• Assessing the formation of spin and charge stripes in La${}_3$Ni${}_2$O${}_7$ from first-principles
• Modulation of the Octahedral Structure and Potential Superconductivity of La${}_3$Ni${}_2$O${}_7$ through Strain Engineering
• Electronic structure of Ruddlesden-Popper nickelates: strain to mimic the effects pressure
• Magnetic phase diagram of a two-orbital model for bilayer nickelates varying doping
• Band Structure and Pairing Nature of La${}_3$Ni${}_2$O${}_7$ Thin Film at Ambient Pressure
• Transition from $s_{\pm }$-wave to $d_{x^2-y^2}$-wave superconductivity driven by interlayer interaction in the bilayer two-orbital model of La${}_3$Ni${}_2$O${}_7$
• Hund's Rule, Interorbital Hybridization, and High-$T_c$ Superconductivity in the Bilayer Nickelate
• Imaging the Meissner effect in pressurized bilayer nickelate with integrated multi-parameter quantum sensor
• Decomposition of multilayer superconductivity with interlayer pairing
• Non-Fermi liquid and antiferromagnetic correlations with hole doping in the bilayer two-orbital Hubbard model of La${}_3$Ni${}_2$O${}_7$ at zero temperature
• Signature of superconductivity in pressurized La4Ni3O10-x single crystals grown at ambient pressure
• Electronic correlations, layer distinction, and electron doping in the alternating single-layer trilayer La${}_3$Ni${}_2$O${}_7$ polymorph
• Spin-density wave and superconductivity in La${}_4$Ni${}_3$O${}_{10}$ under ambient pressure
• Impact of Pressure and Apical Oxygen Vacancies on Superconductivity in La${}_3$Ni${}_2$O${}_7$
• Superconducting gap structure and bosonic mode in La2PrNi2O7 thin films at ambient pressure
• Strong-coupling study of the pairing mechanism in pressurized La${}_3$Ni${}_2$O${}_7$
• First-principles study on Pr-doped Bilayer Nickelate La3Ni2O7
• Interlayer interactions in ${\text{La}}_3{\text{Ni}}_2{\text{O}}_7$ under pressure: from $s^{\pm }$ to $d_{xy}$-wave superconductivity
• Theoretical study of the crystal structure of the bilayer nickel oxychloride Sr${}_3$Ni${}_2$O${}_5$Cl${}_2$ and analysis of possible unconventional superconductivity
• Magnetic Correlations and Pairing Tendencies of the Hybrid Stacking Nickelate Superlattice La${}_7$Ni${}_5$O${}_{17}$ (La${}_3$Ni${}_2$O${}_7$/La${}_4$Ni${}_3$O${}_{10}$) under Pressure
• Doping evolution of the normal state magnetic excitations in pressurized La3Ni2O7
• $t$-$J$ model for strongly correlated two-orbital systems: Application to bilayer nickelate superconductors
• The electronic structure and disorder effect of La${}_3$Ni${}_2$O${}_7$ superconductor
• 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
• Electronic Structure, Magnetic and Pairing Tendencies of Alternating Single-layer Bilayer Stacking Nickelate La${}_5$Ni${}_3$O${}_{11}$ Under Pressure
• Spin excitations in bilayer La${}_3$Ni${}_2$O${}_7$ superconductors with the interlayer pairing
• Superconductivity governed by Janus-faced fermiology in strained bilayer nickelates
• Complex spin-density-wave ordering in La${}_4$Ni${}_3$O${}_{10}$
• Unveiling the multiband metallic nature of the normal state in nickelate La3Ni2O7
• Unifying Strain-driven and Pressure-driven Superconductivity in La${}_3$Ni${}_2$O${}_7$: Suppressed charge/spin density waves and enhanced interlayer coupling
• Possible Fano effect and suppression of Andreev reflection in La${}_3$Ni${}_2$O${}_7$
• Theory of potential impurity scattering in pressurized superconducting La${}_3$Ni${}_2$O${}_7$
• 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)
• Strong-coupling high-$T_{\mathrm{c}}$ superconductivity in doped correlated band insulators
• General trends of electronic structures, superconducting pairing, and magnetic correlations in the Ruddlesden-Popper nickelate $m$-layered superconductors La${}_{m+1}$Ni${}_m$O${}_{3m+1}$
• Charge distribution and magnetism in bilayer La${}_3$Ni${}_2$O${}_7$: a hybrid functional study
• Self-doped Molecular Mott Insulator for Bilayer High-Temperature Superconducting La3Ni2O7
• Topotactical Hydrogen Induced Single-Band $d$-wave Superconductivity in La${}_2$NiO${}_4$
• Correlation Effects in a Simplified Bilayer Two-Orbital Hubbard Model at Half Filling
• Electronic reconstruction and interface engineering of emergent spin fluctuations in compressively strained La${}_3$Ni${}_2$O${}_7$ on SrLaAlO${}_4$(001)
• Pairing Symmetry Crossover from $d$-wave to $s_{\pm }$-wave in a Bilayer Nickelate Driven by Hund's Coupling and Crystal Field Splitting
• Numerical study of bi-layer two-orbital model for La${}_3$Ni${}_2$O${}_7$ on a plaquette ladder
• Quantum phase transition driven by competing intralayer and interlayer hopping in bilayer nickelates
• Superexchanges and Charge Transfer in the La${}_3$Ni${}_2$O${}_7$ Thin Films
• Optical control of the crystal structure in the bilayer nickelate superconductor La3Ni2O7 via nonlinear phononics
• Robust $s_{\pm }$-wave pairing in a bilayer two-orbital model of pressurized La${}_3$Ni${}_2$O${}_7$ without the $\gamma$ Fermi surface
• Theoretical investigation of the superconducting pairing symmetry in a bilayer two-orbital model of pressurized La${}_3$Ni${}_2$O${}_7$
• Distinct orbital contributions to electronic and magnetic structures in La${}_4$Ni${}_3$O${}_{10}$
• Compressive Strain Turns $s^{\pm }$ into $d$-Wave Pairing in One-unit-cell La${}_3$Ni${}_2$O${}_7$ Thin Film Via Substrate-Induced Hole Doping
• Pairing mechanism and superconductivity in pressurized La${}_5$Ni${}_3$O${}_{11}$
• Incommensurate spin fluctuations and competing pairing symmetries in La${}_3$Ni${}_2$O${}_7$
• Calculations of Spin Fluctuation Spectral Functions ${\alpha }^{2}F$ in High-Temperature Superconducting Cuprates
• Structural stability, electronic structure, and magnetic properties of the single-layer trilayer La3Ni2O7 polymorph
• The $s\pm$ pairing symmetry in the pressured La${}_3$Ni${}_2$O${}_7$ from electron-phonon coupling
• Pressure and doping effects on the electronic structure and magnetism of the single-layer nickelate La${}_2$NiO${}_4$
• Theoretical study of the electronic correlation and superconducting pairing in La${}_{2.85}$Pr${}_{0.15}$Ni${}_2$O${}_7$ film grown on SrLaAlO${}_4$
• Impact of multiband effects on non-Fermi-liquid transport phenomena in bilayer nickelates
• Progress of ambient-pressure superconductivity in bilayer nickelate thin films
• Magnetically Mediated Cross-Layer Pairing in Pressurized Trilayer Nickelate La${}_4$Ni${}_3$O${}_{10}$
• Weak coupling theory of nickel-based 327 superconductors
• Raman response in superconducting multiorbital systems with application to nickelates
• Spin Fluctuations in the Rare-Earth Doped Bilayer Nickelates