Magnetism-Enhanced Strong Electron-Phonon Coupling in Infinite-Layer Nickelate

Abstract

Intriguing analogies between the nickelates and the cuprates provide a promising avenue for unraveling the microscopic mechanisms underlying high-$T_c$ superconductivity. While electron correlation effects in the nickelates have been extensively studied, the role of electron-phonon coupling (EPC) remains highly controversial. Here, by taking pristine LaNiO${}_2$ as an exemplar nickelate, we present an in-depth study of EPC for both the non-magnetic (NM) and the $C$-type antiferromagnetic ($C$-AFM) phase using advanced density functional theory methods without invoking $U$ or other free parameters. The weak EPC strength $\lambda$ in the NM phase is found to be greatly enhanced ($\sim$4$\times$) due to the presence of magnetism in the $C$-AFM phase. This enhancement arises from strong interactions between the flat bands associated with the Ni-3$d_{z^2}$ orbitals and the low-frequency phonon modes driven by the vibrations of Ni and La atoms. The resulting phonon softening is shown to yield a distinctive kink in the electronic structure around 15 meV, which would provide an experimentally testable signature of our predictions. Our study highlights the critical role of local magnetic moments and interply EPC in the nickelate.

11 pages, 4 figures

References in corpus (49)

• Electron-phonon interactions from first principles
• How to detect fluctuating order in the high-temperature superconductors
• EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
• Superconductivity near 80 Kelvin in single crystals of La3Ni2O7 under pressure
• Superconducting Dome in Nd${}_{1-x}$Sr${}_x$NiO${}_2$ Infinite Layer Films
• 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
• Nickelate superconductivity without rare-earth magnetism: (La,Sr)NiO${}_2$
• Superconductivity in pressurized trilayer La${}_4$Ni${}_3$O${}_{10-\delta }$ single crystals
• Formation of 2D single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2
• 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
• Late transition-metal oxides with infinite-layer structure: Nickelates versus cuprates
• Doping evolution of the Mott-Hubbard landscape in infinite-layer nickelates
• Many-body Electronic Structure of NdNiO${}_2$ and CaCuO${}_2$
• Character of the "normal state" of the nickelate superconductors
• Charge density waves in infinite-layer NdNiO${}_2$ nickelates
• Antiferromagnetic Ground State of La${}_2$CuO${}_4$: A Parameter-free Ab Initio Description
• Intrinsic magnetism in superconducting infinite-layer nickelates
• Landscape of competing stripe and magnetic phases in cuprates
• Square Lattice Iridates
• Lifshitz transition and frustration of magnetic moments in infinite-layer NdNiO${}_2$ upon hole-doping
• Electronic Structure Trends Across the Rare-Earth Series in Superconducting Infinite Layer Nickelates
• Distinct pairing symmetries of superconductivity in infinite-layer nickelates
• Symmetry-Breaking Polymorphous Descriptions for Complex Materials without Interelectronic U
• Normal state of Nd${}_{1-x}$Sr${}_x$NiO${}_2$ from self-consistent $GW$+EDMFT
• $f$-electron and magnetic ordering effects in nickelates LaNiO${}_2$ and NdNiO${}_2$: remarkable role of the cuprate-like $3d_{x^2-y^2}$ band
• Fluctuation-frustrated flat band instabilities in NdNiO2
• Magnetic correlations in infinite-layer nickelates: an experimental and theoretical multi-method study
• The dawn of the nickel age of superconductivity
• Electronic structure of superconducting nickelates probed by resonant photoemission spectroscopy
• Electron-Phonon Interactions Using the PAW Method and Wannier Functions
• Universal spin-glass behaviour in bulk LaNiO2, PrNiO2 and NdNiO2
• Reliable lattice dynamics from an efficient density functional
• Intrinsic Spin Susceptibility and Pseudogap-like Behavior in Infinite-Layer LaNiO2
• Electronic Structure of Superconducting Infinite-Layer Lanthanum Nickelates
• EPIq : an open-source software for the calculation of electron-phonon interaction related properties
• Two-gap superconductivity and decisive role of rare-earth $d$ electrons in infinite-layer nickelates
• Preempted phonon-mediated superconductivity in the infinite-layer nickelates
• Unconventional superconductivity without doping: infinite-layer nickelates under pressure
• Critical role of magnetic moments in heavy-fermion materials: revisiting mysteries of SmB${}_6$
• Quantifying interaction mechanism in infinite layer nickelate superconductors
• Appearance of Universal Metallic Dispersion in a Doped Mott Insulator
• Charge ordering as the driving mechanism for superconductivity in rare-earth nickel oxides
• Critical role of magnetic moments on lattice dynamics in YBa${}_2$Cu${}_3$O${}_6$
• Variation of carrier density in semimetals via short-range correlation: A case study with nickelate NdNiO${}_2$
• Electron-phonon mediated superconductivity in La${}_6$Ni${}_5$O${}_{12}$ nickel oxides
• Accurate Electron-phonon Interactions from Advanced Density Functional Theory

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• Gor'kov-Hedin-Baym Equations for Quantum Many-Body Systems with Spin-Dependent Interactions
• Hubbard-$U$-corrected electron-phonon interactions in strongly correlated materials via the finite-displacement method