Structural phase transition, s±-wave pairing, and magnetic stripe order in bilayered superconductor La3Ni2O7 under pressure

Yang Zhang, Ling-Fang Lin (), Adriana Moreo, Thomas A. Maier () and Elbio Dagotto ()
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Yang Zhang: University of Tennessee
Ling-Fang Lin: University of Tennessee
Adriana Moreo: University of Tennessee
Thomas A. Maier: Oak Ridge National Laboratory
Elbio Dagotto: University of Tennessee

Nature Communications, 2024, vol. 15, issue 1, 1-11

Abstract: Abstract Motivated by the recently discovered high-Tc superconductor La3Ni2O7, we comprehensively study this system using density functional theory and random phase approximation calculations. At low pressures, the Amam phase is stable, containing the Y2− mode distortion from the Fmmm phase, while the Fmmm phase is unstable. Because of small differences in enthalpy and a considerable Y2− mode amplitude, the two phases may coexist in the range between 10.6 and 14 GPa, beyond which the Fmmm phase dominates. In addition, the magnetic stripe-type spin order with wavevector (π, 0) was stable at the intermediate region. Pairing is induced in the s±-wave channel due to partial nesting between the M = (π, π) centered pockets and portions of the Fermi surface centered at the X = (π, 0) and Y = (0, π) points. This resembles results for iron-based superconductors but has a fundamental difference with iron pnictides and selenides. Moreover, our present efforts also suggest La3Ni2O7 is qualitatively different from infinite-layer nickelates and cuprate superconductors.

Date: 2024
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DOI: 10.1038/s41467-024-46622-z

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