Electronic reconstruction and interface engineering of emergent spin fluctuations in compressively strained La$_3$Ni$_2$O$_7$ on SrLaAlO$_4$(001)
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arXiv
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2025
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| author | Geisler, Benjamin Hamlin, James J. Stewart, Gregory R. Hennig, Richard G. Hirschfeld, P. J. |
| author_facet | Geisler, Benjamin Hamlin, James J. Stewart, Gregory R. Hennig, Richard G. Hirschfeld, P. J. |
| contents | 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 $Γ$ 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. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2503_10902 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Electronic reconstruction and interface engineering of emergent spin fluctuations in compressively strained La$_3$Ni$_2$O$_7$ on SrLaAlO$_4$(001) Geisler, Benjamin Hamlin, James J. Stewart, Gregory R. Hennig, Richard G. Hirschfeld, P. J. Superconductivity Materials Science 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 $Γ$ 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. |
| title | Electronic reconstruction and interface engineering of emergent spin fluctuations in compressively strained La$_3$Ni$_2$O$_7$ on SrLaAlO$_4$(001) |
| topic | Superconductivity Materials Science |
| url | https://arxiv.org/abs/2503.10902 |