Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer 
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 under pressure: Different role of 
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Zhang, Yang; Lin, Ling-Fang; Moreo, Adriana; Maier, Thomas A.; Dagotto, Elbio

doi:10.1103/physrevb.109.045151

Phys. Rev. B

2024

DOI: 10.1103/physrevb.109.045151

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Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer La3Ni2O6 under pressure: Different role of d

Yang Zhang,

Ling-Fang Lin,

Adriana Moreo

et al.

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Cited by 16 publications

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“…Some of these mod-els are predicted to produce 𝑠± pairing symmetry. [15,[31][32][33][34][35][36][37] There are also a few theoretical works about possible magnetism in La3Ni2O7. [46][47][48] However, the interplay between magnetism and superconductivity, which is an extremely important issue in Cu-and Fe-based high-𝑇c superconductivity, has not been carefully studied in the context of La3Ni2O7.…”

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Magnetism and Superconductivity in the t–J Model of La₃Ni₂O₇ Under Multiband Gutzwiller Approximation

Xue 薛,

Wang 王

2024

Chinese Phys. Lett.

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The recent discovery of possible high temperature superconductivity in single crystals of La 3 Ni 2 O 7 under pressure renews the interest in research on nickelates. The DFT calculations reveal that both d z 2 and d x 2-y 2 orbitals are active, which suggests a minimal two-orbital model to capture the low-energy physics of this system. In this work, we study a bilayer two-orbital t-J model within multiband Gutzwiller approximation, and discuss the magnetism as well as the superconductivity over a wide range of the hole doping. Owing to the inter-orbital super-exchange process between d z 2 and d x 2-y 2 orbitals, the induced ferromagnetic coupling within layers competes with the conventional antiferromagnetic coupling, and leads to complicated hole doping dependence for the magnetic properties in the system. With increasing hole doping, the system transfers to A-AFM state from the starting G-AFM state. We also find the inter-layer superconducting pairing of d x 2-y 2 orbitals dominates due to the large hopping parameter of d z 2 along the vertical inter-layer bonds and significant Hund’s coupling between d z 2 and d x 2-y 2 orbitals. Meanwhile, the G-AFM state and superconductivity state can coexist in the low hole doping regime. To take account of the pressure, we also analyze the impacts of inter-layer hopping amplitude on the system properties.

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Magnetism and Superconductivity in the t–J Model of La₃Ni₂O₇ Under Multiband Gutzwiller Approximation

Xue 薛,

Wang 王

2024

Chinese Phys. Lett.

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

Zhang,

Lin,

Moreo

et al. 2024

Nat Commun

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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.

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Visualization of oxygen vacancies and self-doped ligand holes in La3Ni2O7−δ

Dong,

Huo,

et al. 2024

Nature

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Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer La3Ni2O6 under pressure: Different role of d

Cited by 16 publications

References 61 publications

Magnetism and Superconductivity in the t–J Model of La₃Ni₂O₇ Under Multiband Gutzwiller Approximation

Magnetism and Superconductivity in the t–J Model of La₃Ni₂O₇ Under Multiband Gutzwiller Approximation

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

Visualization of oxygen vacancies and self-doped ligand holes in La3Ni2O7−δ

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Resources

About

Electronic structure, magnetic correlations, and superconducting pairing in the reduced Ruddlesden-Popper bilayer La3Ni2O6 under pressure: Different role of d

Cited by 16 publications

References 61 publications

Magnetism and Superconductivity in the t–J Model of La3Ni2O7 Under Multiband Gutzwiller Approximation

Magnetism and Superconductivity in the t–J Model of La3Ni2O7 Under Multiband Gutzwiller Approximation

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

Visualization of oxygen vacancies and self-doped ligand holes in La3Ni2O7−δ

Contact Info

Product

Resources

About

Magnetism and Superconductivity in the t–J Model of La₃Ni₂O₇ Under Multiband Gutzwiller Approximation

Magnetism and Superconductivity in the t–J Model of La₃Ni₂O₇ Under Multiband Gutzwiller Approximation