Theoretical study on the possibility of high $T_c$ s$\pm$-wave superconductivity in the heavily hole-doped infinite layer nickelates

Abstract

We theoretically propose a possibility of realizing high $T_c$ superconductivity having $s\pm$-wave symmetry in the heavily hole-doped infinite layer nickelates La${}_{1-x}$Sr${}_x$NiO${}_2$. We consider situations where the original $P4/mmm$ symmetry of LaNiO${}_2$ is maintained even for a significant amount of Sr substitution by growing thin films on substrates having tetragonal symmetry. Considering such cases is indeed justified by our phonon calculations. For electron configurations somewhat close to $d^8$, the interaction between the $d_{x^2-y^2}$ band and the other $3d$ bands that lie just below the Fermi level results in an enhancement of superconductivity where the sign of the gap function is reversed between the former and the latter bands. The strong enhancement of superconductivity can be attributed to the large energy level offset between $d_{x^2-y^2}$ and other orbitals due to the absence of the apical oxygens, as has been pointed out in previous studies.

arXiv comment7 pages, 4 figures

References in corpus (42)

• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Maximally-localized generalized Wannier functions for composite energy bands
• Optimized norm-conserving Vanderbilt pseudopotentials
• Maximally-localized Wannier functions for entangled energy bands
• The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
• Frequency-dependent local interactions and low-energy effective models from electronic structure calculations
• Superconductivity near 80 Kelvin in single crystals of La3Ni2O7 under pressure
• Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach
• 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
• Nickelate superconductivity without rare-earth magnetism: (La,Sr)NiO${}_2$
• High-temperature superconductivity with zero-resistance and strange metal behavior in La${}_3$Ni${}_2$O${}_{7-\delta }$
• Superconductivity in pressurized trilayer La${}_4$Ni${}_3$O${}_{10-\delta }$ single crystals
• Superconductivity in infinite-layer nickelate La${}_{1-x}$Ca${}_x$NiO${}_2$ thin films
• Robust $d_{x^2-y^2}$-wave superconductivity of infinite-layer nickelates
• Model construction and a possibility of cuprate-like pairing in a new d9 nickelate superconductor (Nd,Sr)NiO2
• Nickelate superconductors -- a renaissance of the one-band Hubbard model
• Ab initio Derivation of Low-Energy Model for $\kappa$-ET Type Organic Conductors
• Two-Orbital Model Explains the Higher Transition Temperature of the Single-Layer Hg-Cuprate Superconductor Compared to That of the La-Cuprate Superconductor
• Phase diagram and Gap anisotropy in Iron-Pnictide Superconductors
• Pressure-induced superconductivity in polycrystalline La3Ni2O7
• Topotactic hydrogen in nickelate superconductors and akin infinite-layer oxides ABO2
• Signature of superconductivity in pressurized La${}_4$Ni${}_3$O${}_{10}$
• Ab initio Derivation of Low-energy Model for Iron-Based Superconductors LaFeAsO and LaFePO
• 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${}_7$
• RESPACK: An ab initio tool for derivation of effective low-energy model of material
• Effects of Pressure and Doping on Ruddlesden-Popper phases Lan+1NinO3n+1
• Origin of the material dependence of $T_c$ in the single-layered cuprates
• Origin of the Weak Pseudo-gap Behaviors in Na_{0.35}CoO_2: Absence of Small Hole Pockets
• Ferromagnetic fluctuation and possible triplet superconductivity in Na_xCoO_2*yH_2O: Fluctuation-exchange study of multi-orbital Hubbard model
• Finite energy spin fluctuation as a pairing glue in systems with coexisting electron and hole bands
• Superconductivity in trilayer nickelate La4Ni3O10 under pressure
• Generalization of the iterative perturbation theory and metal-insulator transition in multi-orbital Hubbard bands
• Ab initio GW plus cumulant calculation for isolated band system: Application to organic conductor (TMTSF)2PF6 and transition-metal oxide SrVO3
• Optimizing superconductivity: from cuprates via nickelates to palladates
• Negative sign problem in continuous-time quantum Monte Carlo: optimal choice of single-particle basis for impurity problems
• Superconducting mechanism for the cuprate Ba${}_2$CuO${}_{3+\delta }$ based on a multiorbital Lieb lattice model
• On the origin of topotactic reduction effect for superconductivity in infinite-layer nickelates
• Topotactic-hydrogen forms chains in $AB$O${}_2$ nickelate superconductors
• Designing nickelate superconductors with $d^8$ configuration exploiting mixed-anion strategy
• Model-mapped random phase approximation to evaluate superconductivity in the fluctuation exchange approximation from first principles
• Interface tool from Wannier90 to RESPACK: wan2respack

Cited by in corpus (1)

• Lattice dynamics of the infinite-layer nickelate LaNiO${}_2$