Electronic reconstruction and interface engineering of emergent spin fluctuations in compressively strained La${}_3$Ni${}_2$O${}_7$ on SrLaAlO${}_4$(001)

Abstract

Motivated by the recent observation of ambient-pressure superconductivity with $T_c\sim 40$ K in La3Ni2O7 on SrLaAlO4(001) (SLAO), we explore the structural and electronic properties as well as the spin-spin correlation function of this bilayer nickelate system by using density functional theory including a Coulomb repulsion term. We find that the compressive strain exerted by this substrate leads to an unconventional occupation of the antibonding Ni $3d_{z^2}$ states around the $\Gamma$ point, distinct from the superconducting bulk compound under pressure. While pure strain effects rather modestly enhance the dynamical spin susceptibility, investigation of a reconstructed interface composition as observed in transmission electron microscopy uncovers a strong amplification of the spin fluctuations due to Fermi surface nesting of the antibonding Ni $3d_{z^2}$ states near the interface. These results provide insights into the emergence of superconductivity in strained La${}_3$Ni${}_2$O${}_7$, suggest a possible key role of the interface, and highlight fundamental differences from the hydrostatic pressure scenario.

9 pages, 4 figures

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Cited by in corpus (1)

• 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