Structural routes to stabilise superconducting La${}_3$Ni${}_2$O${}_7$ at ambient pressure

Abstract

The bilayer perovskite La${}_3$Ni${}_2$O${}_7$ has recently been found to enter a superconducting state under hydrostatic pressure at temperatures as high as 80 K. The onset of superconductivity is observed concurrent with a structural transition which suggests that superconductivity is inherently related to this specific structure. Here we perform density functional theory based structural relaxation calculations and identify several promising routes to stabilize the crystal structure which hosts the superconducting state at ambient pressure. We find that the structural transition is controlled almost entirely by a reduction of the b-axis lattice constant, which suggests that uniaxial compression along the [010] direction or in-plane biaxial compression are sufficient as tuning parameters to control this transition. Furthermore, we show that increasing the size of the A-site cations can also induce the structural transitions via chemical pressure and identify Ac${}_3$Ni${}_2$O${}_7$ and Ba-doped La${}_3$Ni${}_2$O${}_7$ as potential candidates for a high temperature superconducting nickelate at ambient pressure.

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Cited by in corpus (27)

• 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${}_7$
• Theory of magnetic excitations in multilayer nickelate superconductor La${}_3$Ni${}_2$O${}_7$
• 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${}_7$
• Effect of Rare-earth Element Substitution in Superconducting R${}_3$Ni${}_2$O${}_7$ Under Pressure
• The $s^{\pm }$-Wave Superconductivity in the Pressurized La${}_4$Ni${}_3$O${}_{10}$
• Electronic properties of nickelate superconductor R3Ni2O7 with oxygen vacancies
• Electronic structure of Ruddlesden-Popper nickelates: strain to mimic the effects pressure
• Band Structure and Pairing Nature of La${}_3$Ni${}_2$O${}_7$ Thin Film at Ambient Pressure
• Interstitial oxygen order and its competition with superconductivity in La${}_2$PrNi${}_2$O${}_{7+\delta }$
• Hund's Rule, Interorbital Hybridization, and High-$T_c$ Superconductivity in the Bilayer Nickelate
• 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${}_7$
• 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
• $t$-$J$ model for strongly correlated two-orbital systems: Application to bilayer nickelate superconductors
• Origin of the Diagonal Double-Stripe Spin-Density-Wave and Potential Superconductivity in Bulk La${}_3$Ni${}_2$O${}_7$ at Ambient 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
• Superconductivity governed by Janus-faced fermiology in strained bilayer nickelates
• Strain-Engineered Electronic Structure and Superconductivity in La${}_3$Ni${}_2$O${}_7$ Thin Films
• Unifying Strain-driven and Pressure-driven Superconductivity in La${}_3$Ni${}_2$O${}_7$: Suppressed charge/spin density waves and enhanced interlayer coupling
• Enhanced superconductivity in the compressively strained bilayer nickelate thin films by 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)
• Electronic reconstruction and interface engineering of emergent spin fluctuations in compressively strained La${}_3$Ni${}_2$O${}_7$ on SrLaAlO${}_4$(001)
• Optical control of the crystal structure in the bilayer nickelate superconductor La3Ni2O7 via nonlinear phononics
• Magnetically Mediated Cross-Layer Pairing in Pressurized Trilayer Nickelate La${}_4$Ni${}_3$O${}_{10}$