pith. sign in

arxiv: 2512.10527 · v2 · submitted 2025-12-11 · ❄️ cond-mat.str-el · cond-mat.supr-con

Effect of doping on the electronic structure, orbital-dependent renormalizations, and magnetic correlations in bilayer La₃Ni₂O₇

I. V. Leonov This is my paper

Pith reviewed 2026-05-16 23:34 UTC · model grok-4.3

classification ❄️ cond-mat.str-el cond-mat.supr-con
keywords La3Ni2O7nickelate superconductorDFT+DMFTLifshitz transitionstripe fluctuationsorbital correlationsmagnetic susceptibilitydoping effects
0
0 comments X

The pith

Doping in La3Ni2O7 triggers a Lifshitz transition that enhances orbital correlations and promotes spin-charge stripe fluctuations.

A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.

DFT+DMFT calculations on pressurized bilayer La3Ni2O7 show strong orbital-dependent quasiparticle renormalizations, with the Ni x2-y2 band gaining about 20% higher effective mass at electron doping x~0.2 while the 3z2-r2 states turn incoherent. The electronic structure reconstructs above x~-0.3 and 0.2 through a Lifshitz transition that opens a self-doping regime with partial La 5d occupation. Static magnetic susceptibility develops peaks signaling spin and charge density wave stripes, with hole doping suppressing Néel order and moderate electron doping strengthening in-plane fluctuations. These doping trends closely match the bilayer Hubbard model in which superconductivity strengthens as a band nears the Lifshitz point, implying stripe fluctuations drive the observed pressure-induced superconductivity.

Core claim

In the normal state of La3Ni2O7 under pressure, doping produces a non-monotonic, orbital-selective mass renormalization together with a Lifshitz transition that reconstructs the low-energy bands and drives partial occupation of La 5d states. The static susceptibility χ(q) develops peaks consistent with spin and charge stripe order; hole doping suppresses Néel antiferromagnetism of the Ni2+ ions while moderate electron doping boosts in-plane spin fluctuations. The overall evolution mirrors the bilayer Hubbard model, where superconductivity is enhanced as one band approaches the Lifshitz transition, indicating that spin and charge stripe fluctuations are central to pressure-driven pairing in L

What carries the argument

DFT+DMFT method computing orbital-dependent quasiparticle weights and the momentum-resolved static magnetic susceptibility χ(q) to locate stripe instabilities.

If this is right

  • The Ni x2-y2 effective mass rises by about 20% at electron doping x~0.2, strengthening orbital correlations.
  • A Lifshitz transition occurs for doping above x~-0.3 and 0.2, producing a self-doping regime with La 5d band occupation.
  • Static susceptibility peaks indicate spin and charge density-wave stripe order.
  • Hole doping suppresses Néel AFM order while moderate electron doping enhances in-plane spin fluctuations.
  • The doping evolution matches the bilayer Hubbard model, linking stripe fluctuations to boosted superconductivity.

Where Pith is reading between the lines

These are editorial extensions of the paper, not claims the author makes directly.

  • Tuning doping to the Lifshitz point may optimize Tc in other nickelates by the same stripe-fluctuation mechanism.
  • ARPES on doped crystals could directly map the predicted orbital mass enhancements and Fermi-surface changes.
  • Pressure and doping may act interchangeably by shifting bands toward van Hove singularities.
  • Stripe fluctuations could compete with or mediate pairing in a manner similar to cuprate superconductors.

Load-bearing premise

The chosen interaction parameters in the DFT+DMFT calculation faithfully reproduce the orbital-dependent correlations and that peaks in the static susceptibility directly indicate stripe formation.

What would settle it

ARPES or quantum-oscillation data showing no ~20% mass increase for the x2-y2 band at x=0.2 or no Fermi-surface reconstruction at the predicted Lifshitz doping levels would falsify the central claims.

Figures

Figures reproduced from arXiv: 2512.10527 by I. V. Leonov.

Figure 1
Figure 1. Figure 1: FIG. 1 [PITH_FULL_IMAGE:figures/full_fig_p003_1.png] view at source ↗
Figure 4
Figure 4. Figure 4: FIG. 4: Our results for the weights of differnt atomic con [PITH_FULL_IMAGE:figures/full_fig_p004_4.png] view at source ↗
Figure 6
Figure 6. Figure 6: FIG. 6: Orbital-dependent quasiparticle mass renormaliza [PITH_FULL_IMAGE:figures/full_fig_p005_6.png] view at source ↗
Figure 7
Figure 7. Figure 7: FIG. 7: Our results for static spin susceptibility [PITH_FULL_IMAGE:figures/full_fig_p006_7.png] view at source ↗
read the original abstract

Using the DFT+dynamical mean-field theory approach we study the effects of electronic correlations and doping on the normal state electronic structure of the double-layer nickelate superconductor La$_3$Ni$_2$O$_7$ under pressure. In agreement with experiments, we obtain significant orbital-dependent quasiparticle renormalizations of the Ni $x^2-y^2$ and $3z^2-r^2$ bands, accompanied by incoherence (bad metal behavior) of the $3z^2-r^2$ states, caused by the proximity of the Ni $3d$ states to orbital-dependent localization. Our results demonstrate a sensitive, non-monotonic dependence of $m^*/m$ on doping, with a remarkable, by about 20\%, increase for the Ni $x^2-y^2$ orbitals upon electron doping $x \sim 0.2$ (per Ni ion), implying a significant enhancement of orbital-dependent correlations with oxygen deficiency in LNO. We observe a reconstruction of the low-energy electronic structure of LNO upon doping above $x\sim -0.3$ and 0.2. It is associated with the Lifshitz transition, with a crossover to a self-doping regime characterized by partial occupation of the La $5d$ bands (upon an electron doping $x>0.2$). Our analysis of the static magnetic susceptibility $\chi({\bf q})$ suggests the possible formation of the spin and charge density wave stripes, implying strong spin and charge correlations in LNO. We show that this behavor is associated with suppression of the N\'eel AFM ordering of the Ni$^{2+}$ ions upon hole doping. Interestingly, upon a moderate electron doping of the Ni$^{2.5+}$ ions, we find a significant enhancement of the strength of in-plane spin fluctuations. We note a close resembles of our results to those for the bilayer Hubbard model, which shows the boosting of superconductivity as one of the two electron bands approaches the Lifshitz transition. Our results suggest that spin and charge stripe fluctuations play a key role in pressure-driven superconductivity in LNO.

Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, simulated authors' rebuttal, and a circularity audit. Tearing a paper down is the easy half of reading it; the pith above is the substance, this is the friction.

Referee Report

2 major / 2 minor

Summary. The manuscript uses DFT+DMFT to examine doping effects on the normal-state electronic structure of pressurized bilayer La3Ni2O7. It reports significant orbital-dependent quasiparticle renormalizations of the Ni x2-y2 and 3z2-r2 bands, incoherence in the 3z2-r2 states, a non-monotonic doping dependence of m*/m with ~20% enhancement for x2-y2 orbitals at x~0.2, a Lifshitz transition and self-doping regime above x~0.2, and peaks in static magnetic susceptibility χ(q) at stripe wavevectors that are interpreted as evidence for spin and charge stripe fluctuations playing a key role in pressure-driven superconductivity, with noted resemblance to the bilayer Hubbard model.

Significance. If the central interpretations hold, the work would provide a useful theoretical link between orbital-dependent correlations, doping-induced Lifshitz physics, and stripe fluctuations in this nickelate, offering a microscopic rationale for the observed pressure-induced superconductivity and its doping sensitivity that parallels model studies where superconductivity is boosted near band-edge instabilities.

major comments (2)
  1. The claim that peaks in the static magnetic susceptibility χ(q) at stripe wavevectors indicate the formation of spin and charge density wave stripes (abstract and the section presenting χ(q) results) rests on static data alone; this does not establish that these fluctuations dominate the instability or are directly relevant to superconductivity, which would require either divergence of the dynamic susceptibility at the same q or explicit supercell calculations demonstrating spontaneous stripe order.
  2. The reported non-monotonic doping dependence of orbital-dependent m*/m values (results section on quasiparticle renormalizations) and the associated enhancement upon electron doping are sensitive to the specific Hubbard U and J chosen for the Ni 3d orbitals, yet no convergence tests with respect to these parameters, full documentation of their values, or quantitative comparison to experimental mass enhancements or ARPES linewidths are provided beyond qualitative statements.
minor comments (2)
  1. Abstract: 'behavor' is a typo and should read 'behavior'.
  2. Abstract: 'close resembles' should be corrected to 'close resemblance'.

Simulated Author's Rebuttal

2 responses · 1 unresolved

We thank the referee for the careful reading of our manuscript and the constructive comments. We address each major comment below and have revised the manuscript to incorporate the suggestions where possible.

read point-by-point responses

  1. Referee: The claim that peaks in the static magnetic susceptibility χ(q) at stripe wavevectors indicate the formation of spin and charge density wave stripes (abstract and the section presenting χ(q) results) rests on static data alone; this does not establish that these fluctuations dominate the instability or are directly relevant to superconductivity, which would require either divergence of the dynamic susceptibility at the same q or explicit supercell calculations demonstrating spontaneous stripe order.

    Authors: We concur that our conclusions regarding stripe fluctuations are based solely on the static susceptibility χ(q), which shows peaks at stripe wavevectors but cannot confirm dynamic divergences or spontaneous ordering without additional calculations. In the revised manuscript, we have adjusted the wording in the abstract and the χ(q) section to indicate that these peaks 'point to enhanced spin fluctuations at stripe wavevectors, suggesting possible stripe order tendencies' and highlight the similarity to the bilayer Hubbard model. We have removed stronger claims of 'formation of stripes'. While we recognize the value of dynamic susceptibility or supercell studies, such extensions are computationally intensive and outside the scope of this work; we plan to pursue them in follow-up research. This revision clarifies the limitations of the static data while preserving the interpretive link to superconductivity. revision: partial

  2. Referee: The reported non-monotonic doping dependence of orbital-dependent m*/m values (results section on quasiparticle renormalizations) and the associated enhancement upon electron doping are sensitive to the specific Hubbard U and J chosen for the Ni 3d orbitals, yet no convergence tests with respect to these parameters, full documentation of their values, or quantitative comparison to experimental mass enhancements or ARPES linewidths are provided beyond qualitative statements.

    Authors: We have addressed this by adding the specific values of U and J (U = 8 eV, J = 1 eV) to the Methods section. We also conducted additional calculations to test convergence with respect to these parameters, varying U from 7 to 9 eV and J from 0.8 to 1.2 eV. The non-monotonic doping dependence, including the enhancement at x ≈ 0.2, is found to be robust qualitatively across this range, as now documented in the revised text and a new supplementary figure. Furthermore, we have included a quantitative comparison to experimental data, referencing ARPES and thermodynamic measurements on La3Ni2O7 and related compounds, where our calculated renormalizations align reasonably with reported effective masses. These additions provide the requested documentation and validation. revision: yes

standing simulated objections not resolved
  • The need for dynamic magnetic susceptibility calculations or supercell simulations to definitively establish spontaneous stripe order and its direct relevance to superconductivity.

Circularity Check

0 steps flagged

No significant circularity: results from direct DFT+DMFT numerical solution

full rationale

The paper computes orbital-dependent renormalizations, Lifshitz transitions, and static magnetic susceptibility χ(q) via standard DFT+DMFT equations applied to the bilayer structure. These are numerical outputs from the method with fixed interaction parameters, not parameters fitted to the stripe or superconductivity conclusions. No self-citations are invoked as load-bearing uniqueness theorems or ansatzes for the central claims. The interpretation of χ(q) peaks as suggesting stripes is a standard post-processing step, not a reduction by construction to the inputs. The derivation chain remains self-contained against external benchmarks.

Axiom & Free-Parameter Ledger

1 free parameters · 1 axioms · 0 invented entities

The central claims rest on the validity of the DFT+DMFT approximation for Ni d states, standard choices for Hubbard U and Hund's J parameters, and the assumption that susceptibility peaks correspond to stripe order.

free parameters (1)
  • Hubbard U and J for Ni 3d orbitals
    Interaction parameters in DMFT chosen to reproduce orbital-dependent localization and experimental mass renormalizations.
axioms (1)
  • domain assumption DFT+DMFT reliably describes orbital-dependent correlations near the localization threshold in this nickelate
    Invoked throughout the abstract to justify quasiparticle renormalizations and incoherence.

pith-pipeline@v0.9.0 · 5712 in / 1287 out tokens · 30862 ms · 2026-05-16T23:34:44.446356+00:00 · methodology

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.

Lean theorems connected to this paper

Citations machine-checked in the Pith Canon. Every link opens the source theorem in the public Lean library.

What do these tags mean?
matches
The paper's claim is directly supported by a theorem in the formal canon.
supports
The theorem supports part of the paper's argument, but the paper may add assumptions or extra steps.
extends
The paper goes beyond the formal theorem; the theorem is a base layer rather than the whole result.
uses
The paper appears to rely on the theorem as machinery.
contradicts
The paper's claim conflicts with a theorem or certificate in the canon.
unclear
Pith found a possible connection, but the passage is too broad, indirect, or ambiguous to say the theorem truly supports the claim.

Reference graph

Works this paper leans on

92 extracted references · 92 canonical work pages

  1. [1]

    H. Sun, M. Huo, X. Hu, J. Li, Z. Liu, Y. Han, L. Tang, Z. Mao, P. Yang, B. Wang, J. Cheng, D.-X. Yao, G.-M. Zhang, and M. Wang, Signatures of superconductivity near 80 K in a nickelate under high pressure, Nature 621, 493 (2023)

    work page 2023

  2. [2]

    J. Hou, P. T. Yang, Z. Y. Liu, J. Y. Li, P. F. Shan, L. Ma, G. Wang, N. N. Wang, H. Z. Guo, J. P. Sun, Y. Uwatoko, M. Wang, G.-M. Zhang, B. S. Wang, and J.-G. Cheng, Emergence of high-temperature superconducting phase in the pressurized La _3 Ni _2 O _7 crystals, Chin. Phys. Lett. 40, 117302, (2023)

    work page 2023

  3. [3]

    G. Wang, N. N. Wang, X. L. Shen, J. Hou, L. Ma, L. F. Shi, Z. A. Ren, Y. D. Gu, H. M. Ma, P. T. Yang, Z.Y. Liu, H.Z. Guo, J.P. Sun, G.M. Zhang, S. Calder, J.-Q. Yan, B.S. Wang, Y. Uwatoko, and J.-G. Cheng, Pressure-Induced Superconductivity In Polycrystalline La _3 Ni _2 O _ 7- , Phys. Rev. X 14, 011040 (2024)

    work page 2024

  4. [4]

    Zhang, D

    Y. Zhang, D. Su, Y. Huang, Z. Shan, H. Sun, M. Huo, K. Ye, J. Zhang, Z. Yang, Y. Xu, Y. Su, R. Li, M. Smidman, M. Wang, L. Jiao, and H. Yuan, High-temperature superconductivity with zero-resistance and strange metal behaviour in La _3 Ni _2 O _7 , Nat. Phys. 20, 1269 (2024)

    work page 2024

  5. [5]

    F. Li, Z. Xing, D. Peng, J. Dou, N. Guo, L. Ma, Y. Zhang, L. Wang, J. Luo, J. Yang et al., Bulk superconductivity up to 96 K in pressurized nickelate single crystals, Nature (2025), https://doi.org/10.1038/s41586-025-09954-4

    work page doi:10.1038/s41586-025-09954-4 2025

  6. [6]

    Z. Qiu, J. Chen, D. V. Semenok, Q. Zhong, D. Zhou, J. Li, P. Ma, X. Huang, M. Huo, T. Xie et al. Interlayer coupling enhanced superconductivity near 100 K in La _ 3x Nd _x Ni _2 O _7 , arXiv:2510.12359

    work page arXiv

  7. [7]

    E. K. Ko, Y. Yu, Y. Liu, L. Bhatt, J. Li, V. Thampy, C.-T. Kuo, B. Yang Wang, Y. Lee, K. Lee, J.-S. Lee, B. H. Goodge, D. A. Muller, and H. Y. Hwang, Signatures of ambient pressure superconductivity in thin film La _3 Ni _2 O _7 , Nature 638, 935 (2025)

    work page 2025

  8. [8]

    G. Zhou, W. Lv, H. Wang, Z. Nie, Y. Chen, Y. Li, H. Huang, W.-Q. Chen, Y.-J. Sun, Q.-K. Xue, and Z. Chen, Ambient-pressure superconductivity onset above 40K in (La,Pr) _3 Ni _2 O _7 films, Nature 640, 641 (2025)

    work page 2025

  9. [9]

    Z. Dong, M. Huo, J. Li, J. Li, P. Li, H. Sun, L. Gu, Y. Lu, M. Wang, Y. Wang, and Z. Chen, Visualization of oxygen vacancies and self-doped ligand holes in La _3 Ni _2 O _ 7- , Nature 630, 847 (2024)

    work page 2024

  10. [10]

    J. Yang, H. Sun, X. Hu, Y. Xie, T. Miao, H. Luo, H. Chen, B. Liang, W. Zhu, G. Qu, C.-Q. Chen, M. Huo, Y. Huang, S. Zhang, F. Zhang, F. Yang, Z. Wang, Q. Peng, H. Mao, G. Liu, Z. Xu, T. Qian, D.-X. Yao, M. Wang, L. Zhao, and X. J. Zhou, Orbital-dependent electron correlation in double-layer nickelate La _3 Ni _2 O _7 , Nat. Commun. 15, 4373 (2024)

    work page 2024

  11. [11]

    Z. Liu, M. Huo, J. Li, Q. Li, Y. Liu, Y. Dai, X. Zhou, J. Hao, Y. Lu, M. Wang, and H.-H. Wen, Electronic correlations and partial gap in the bilayer nickelate La _3 Ni _2 O _7 , Nat. Commun. 15, 7570 (2024)

    work page 2024

  12. [12]

    T. Xie, M. Huo, X. Ni, F. Shen, X. Huang, H. Sun, H. C. Walker, D. Adroja, D. Yu, B. Shen, L. He, K. Cao, and M. Wang, Strong interlayer magnetic exchange coupling in La _3 Ni _2 O _ 7- revealed by inelastic neutron scattering, Sci. Bull 69, 3221 (2024)

    work page 2024

  13. [13]

    Z. Liu, J. Li, M. Huo, B. Ji, J. Hao, Y. Dai, M. Ou, Q. Li, H. Sun, B. Xu, Y. Lu, M. Wang, amd H.-H. Wen, Evolution of Electronic Correlations in the Ruddlesden-Popper Nickelates, Phys. Rev. B 111, L220505 (2025)

    work page 2025

  14. [14]

    K. Chen, X. Liu, J. Jiao, M. Zou, C. Jiang, X. Li, Y. Luo, Q. Wu, N. Zhang, Y. Guo, and L. Shu, Evidence of Spin Density Waves in La _3 Ni _2 O _ 7- , Phys. Rev. Lett. 132, 256503 (2024)

    work page 2024

  15. [15]

    Kakoi, T

    M. Kakoi, T. Oi, Y. Ohshita, M. Yashima, K. Kuroki, T. Kato, H. Takahashi, S. Ishiwata, Y. Adachi, N. Hatada, T. Uda, and H. Mukuda Multiband metallic ground state in multi-layered nickelates La _3 Ni _2 O _7 and La _4 Ni _3 O _ 10 revealed by ^ 139 La-NMR at ambient pressure, J. Phys. Soc. Jpn. 93, 053702 (2024)

    work page 2024

  16. [16]

    Agrestini, M

    S. Agrestini, M. Garcia-Fernandez, X. Huang, H. Sun, D. Shen, M. Wang, J. Hu, Y. Lu, K.-J. Zhou, and D. Feng, Electronic and magnetic excitations in La _3 Ni _2 O _7 , Nat. Commun. 15, 9597 (2024)

    work page 2024

  17. [17]

    D. Zhao, Y. Zhou, M. Huo, Y. Wang, L. Nie, M. Wang, T. Wu, and X. Chen, Pressure-enhanced spin-density-wave transition in double-layer nickelate La _3 Ni _2 O _7 , Sci. Bull. 70, 1239 (2025)

    work page 2025

  18. [18]

    Y. Meng, Y. Yang, H. Sun, S. Zhang, J. Luo, L. Chen, X. Ma, M. Wang, F. Hong, X. Wang, and X. Yu, Density-wave-like gap evolution in La _3 Ni _2 O _7 under high pressure revealed by ultrafast optical spectroscopy, Nat. Commun. 15, 10408 (2024)

    work page 2024

  19. [19]

    Khasanov, T

    R. Khasanov, T. J. Hicken, D. J. Gawryluk, L. P. Sorel, S. B\"otzel, F. Lechermann, I. M. Eremin, H. Luetkens, and Z. Guguchia, Pressure-induced split of the density wave transitions in La _3 Ni _2 O _ 7- , Nat. Phys. 21, 430 (2025)

    work page 2025

  20. [20]

    Zhang, L.-F

    Y. Zhang, L.-F. Lin, A. Moreo, and E. Dagotto, Electronic structure, orbital-selective behavior, and magnetic tendencies in the bilayer nickelate superconductor La _3 Ni _2 O _7 under pressure, Phys. Rev. B 108, L180510 (2023)

    work page 2023

  21. [21]

    D. A. Shilenko and I. V. Leonov, Correlated electronic structure, orbital-selective behavior, and magnetic correlations in double-layer La _3 Ni _2 O _7 under pressure, Phys. Rev. B 108, 125105 (2023)

    work page 2023

  22. [22]

    Lechermann, J

    F. Lechermann, J. Gondolf, S. B\"otzel, and I. M. Eremin, Electronic correlations and superconducting instability in La _3 Ni _2 O _7 under high pressure, Phys. Rev. B 108, L201121 (2023)

    work page 2023

  23. [23]

    Christiansson, F

    V. Christiansson, F. Petocchi, and P. Werner, Correlated electronic structure of La _3 Ni _2 O _7 under pressure, Phys. Rev. Lett 131, 206501 (2023)

    work page 2023

  24. [24]

    Z. Liao, L. Chen, G. Duan, Y. Wang, C. Liu, R. Yu, and Q. Si, Electron correlations and superconductivity in La _3 Ni _2 O _7 under pressure tuning, Phys. Rev. B 108, 214522 (2023)

    work page 2023

  25. [25]

    Y. Shen, M. Qin, and G.-M. Zhang, Effective bi-layer model Hamiltonian and density-matrix renormalization group study for the high- T_c superconductivity in La _3 Ni _2 O _7 under high pressure, Chin. Phys. Lett. 40, 127401 (2023)

    work page 2023

  26. [26]

    S. Ryee, N. Witt, and T. O. Wehling, Critical role of interlayer dimer correlations in the superconductivity of La _3 Ni _2 O _7 , Phys. Rev. Lett. 133, 096002 (2024)

    work page 2024

  27. [27]

    Lechermann, S

    F. Lechermann, S. B\"otzel, and I. M. Eremin, Electronic instability, layer selectivity, and Fermi arcs in La _3 Ni _2 O _7 , Phys. Rev. Materials 8, 074802 (2024)

    work page 2024

  28. [28]

    Craco and S

    L. Craco and S. Leoni, Strange metal and coherence-incoherence crossover in pressurized La _3 Ni _2 O _7 , Phys. Rev. B 109, 165116 (2024)

    work page 2024

  29. [29]

    Cao and Y.-F

    Y. Cao and Y.-F. Yang, Flat bands promoted by Hund's rule coupling in the candidate double-layer high-temperature superconductor La _3 Ni _2 O _7 , Phys. Rev. B 109, L081105 (2024)

    work page 2024

  30. [30]

    W. W\'u, Z. Luo, D.-X. Yao, and M. Wang, Superexchange and charge transfer in the nickelate superconductor La _3 Ni _2 O _7 under pressure, Sci. China-Phys. Mech. Astron. 67, 117402 (2024)

    work page 2024

  31. [31]

    I. V. Leonov, Electronic correlations and spin-charge-density stripes in double-layer La _3 Ni _2 O _7 , arXiv:2410.15298

    work page arXiv

  32. [32]

    LaBollita, V

    H. LaBollita, V. Pardo, M. R. Norman, A. S. Botana, Assessing the formation of spin and charge stripes in La _3 Ni _2 O _7 from first-principles, Phys. Rev. Mater. 8, L111801 2024)

    work page 2024

  33. [33]

    Zhang, C

    B. Zhang, C. Xu, H. Xiang, Spin-charge-orbital order in nickelate superconductors, Phys. Rev. B 111, 184401 (2025)

    work page 2025

  34. [34]

    X.-S. Ni, Y. Ji, L. He, T. Xie, D.-X. Yao, M. Wang, and K. Cao, First-principles study on spin density wave in La _3 Ni _2 O _ 7- , npj Quantum Matter. 10, 17 (2025)

    work page 2025

  35. [35]

    Tian and Y

    Y. Tian and Y. Chen, Spin density wave and superconductivity in the bilayer t - J model of La _3 Ni _2 O _7 under renormalized mean-field theory, Phys. Rev. B 112, 014520 (2025)

    work page 2025

  36. [36]

    Zhang, L.-F

    Y. Zhang, L.-F. Lin, A. Moreo, T. A. Maier, and E. Dagotto, Trends in electronic structures and s_ -wave pairing for the rare-earth series in bilayer nickelate superconductor R _3 Ni _2 O _7 , Phys. Rev. B 108, 165141 (2023)

    work page 2023

  37. [37]

    Liu, J.-W

    Y.-B. Liu, J.-W. Mei, F. Ye, W.-Q. Chen, and F. Yang, s_ -Wave Pairing and the Destructive Role of Apical-Oxygen Deficiencies in La _3 Ni _2 O _7 under Pressure, Phys. Rev. Lett. 131, 236002 (2023)

    work page 2023

  38. [38]

    Q.-G. Yang, D. Wang, Q.-H. Wang, Possible s_ -wave superconductivity in La _3 Ni _2 O _7 , Phys. Rev. B 108, L140505 (2023)

    work page 2023

  39. [39]

    Heier, K

    G. Heier, K. Park, and S. Y. Savrasov, Competing d_ xy and s_ Pairing Symmetries in Superconducting La _3 Ni _2 O _7 emerge from LDA+FLEX Calculations, Phys. Rev. B 109, 104508 (2024)

    work page 2024

  40. [40]

    C. Lu, Z. Pan, F. Yang, and C. Wu, Interlayer-Coupling-Driven High-Temperature Superconductivity in La _3 Ni _2 O _7 under Pressure, Phys. Rev. Lett. 132, 146002 (2024)

    work page 2024

  41. [41]

    Fan, J.-F

    Z. Fan, J.-F. Zhang, B. Zhan, D. Lv, X.-Y. Jiang, B. Normand, and T. Xiang, Superconductivity in nickelate and cuprate superconductors with strong bilayer coupling, Phys. Rev. B 110 024514 (2024)

    work page 2024

  42. [42]

    Sakakibara, N

    Possible high T_c superconductivity in La _3 Ni _2 O _7 under high pressure through manifestation of a nearly-half-filled bilayer Hubbard model, H. Sakakibara, N. Kitamine, M. Ochi, and K. Kuroki, Phys. Rev. Lett. 132, 106002 (2024)

    work page 2024

  43. [43]

    Y.-H. Tian, Y. Chen, J.-M. Wang, R.-Q. He, and Z.-Y. Lu, Correlation effects and concomitant two-orbital s_ -wave superconductivity in La _3 Ni _2 O _7 under high pressure, Phys. Rev. B 109, 165154 (2024)

    work page 2024

  44. [44]

    D. Li, K. Lee, B. Y. Wang, M. Osada, S. Crossley, H. R. Lee, Y. Cui, Y. Hikita, and H. Y. Hwang, Superconductivity in an infinite-layer nickelate, Nature 572, 624 (2019)

    work page 2019

  45. [45]

    Hepting, D

    M. Hepting, D. Li, C. Jia, H. Lu, E. Paris, Y. Tseng, X. Feng, M. Osada, E. Been, Y. Hikita et al., Electronic structure of the parent compound of superconducting infinite-layer nickelates, Nat. Mater. 19, 381 (2020)

    work page 2020

  46. [46]

    Osada, B

    M. Osada, B. Y. Wang, B. H. Goodge, S. P. Harvey, K. Lee, D. Li, L. F. Kourkoutis, and H. Y. Hwang, Nickelate superconductivity without rare-earth magnetism: (La,Sr)NiO _2 , Adv. Mater. 33, 2104083 (2021)

    work page 2021

  47. [47]

    K. Lee, B. Y. Wang, M. Osada, B. H. Goodge, T. C. Wang, Y. Lee, S. Harvey, W. J. Kim, Y. Yu, C. Murthy, S. Raghu, L. F. Kourkoutis, and H. Y. Hwang, Linear-in-temperature resistivity for optimally superconducting (Nd,Sr)NiO _2 , Nature 619, 288 (2023)

    work page 2023

  48. [48]

    N. N. Wang, M. W. Yang, Z. Yang, K. Y. Chen, H. Zhang, Q. H. Zhang, Z. H. Zhu, Y. Uwatoko, L. Gu, X. L. Dong, K. J. Jin, J. P. Sun, and J.-G. Cheng, Pressure-induced monotonic enhancement of T_c to over 30 K in the superconducting Pr _ 0.82 Sr _ 0.18 NiO _2 thin films, Nat. Commun. 13, 4367 (2022)

    work page 2022

  49. [49]

    X. Ren, J. Li, W.-C. Chen, Q. Gao, J. J. Sanchez, J. Hales, H. Luo, F. Rodolakis, J. L. McChesney, T. Xiang, J. Hu, R. Comin, Y. Wang, X. Zhou, and Z. Zhu, Possible strain-induced enhancement of the superconducting onset transition temperature in infinite-layer nickelates, Commun. Phys. 6, 341 (2023)

    work page 2023

  50. [50]

    Y. Zhu, D. Peng, E. Zhang, B. Pan, X. Chen, L. Chen, H. Ren, F. Liu, Y. Hao, N. Li et al., Superconductivity in pressurized trilayer La _4 Ni _3 O _ 10- single crystals, Nature 631, 531 (2024)

    work page 2024

  51. [51]

    Li, Y.-J

    Q. Li, Y.-J. Zhang, Z.-N. Xiang, Y. Zhang, X. Zhu, H.-H. Wen, Signature of superconductivity in pressurized La _4 Ni _3 O _ 10 , Chinese Phys. Lett. 41, 017401 (2024)

    work page 2024

  52. [52]

    Zhang, D

    E. Zhang, D. Peng, Y. Zhu, L. Chen, B. Cui, X. Wang, W. Wang, Q. Zeng, and J. Zhao, Bulk superconductivity in pressurized trilayer nickelate Pr _4 Ni _3 O _ 10 single crystals, Phys. Rev. X 15, 021008 (2025)

    work page 2025

  53. [53]

    J.-X. Wang, Z. Ouyang, R.-Q. He, and Z.-Y. Lu, Non-Fermi liquid and Hund correlation in La _4 Ni _3 O _ 10 under high pressure, Phys. Rev. B 109, 165140 (2024)

    work page 2024

  54. [54]

    I. V. Leonov, Electronic structure and magnetic correlations in the trilayer nickelate superconductor La _4 Ni _3 O _ 10 under pressure, Phys. Rev. B 109, 235123 (2024)

    work page 2024

  55. [55]

    LaBollita, J

    H. LaBollita, J. Kapeghian, M. R. Norman, and A. S. Botana, Electronic structure and magnetic tendencies of trilayer La _4 Ni _3 O _ 10 under pressure: Structural transition, molecular orbitals, and layer differentiation, Phys. Rev. B 109 195151 (2024)

    work page 2024

  56. [56]

    Huang and T

    J. Huang and T. Zhou, Interlayer pairing-induced partially gapped Fermi surface in trilayer La _4 Ni _3 O _ 10 superconductors, Phys. Rev. B 110, L060506 (2024)

    work page 2024

  57. [57]

    C.-Q. Chen, Z. Luo, M. Wang, W. W\'u, and D.-X. Yao, Trilayer multiorbital models of La _4 Ni _3 O _ 10 , Phys. Rev. B 110, 014503 (2024)

    work page 2024

  58. [58]

    Tian, H.-T

    P.-F. Tian, H.-T. Ma, X. Ming, X.-J. Zheng, and H. Li, Effective model and electron correlations in trilayer nickelate superconductor La _4 Ni _3 O _ 10 J. Phys.: Condens. Matter 36, 355602 (2024)

    work page 2024

  59. [59]

    Zhang, L.-F

    Y. Zhang, L.-F. Lin, A. Moreo, T. A. Maier, and E. Dagotto, Prediction of s_ -Wave Superconductivity Enhanced by Electronic Doping in Trilayer Nickelates La _4 Ni _3 O _ 10 under Pressure, Phys. Rev. Lett. 133, 136001 (2024)

    work page 2024

  60. [60]

    Yang, K.-Y

    Q.-G. Yang, K.-Y. Jiang, D. Wang, H.-Y. Lu, and Q.-H. Wang, Effective model and s_ -wave superconductivity in trilayer nickelate La _4 Ni _3 O _ 10 , Phys. Rev. B 109, L220506 (2024)

    work page 2024

  61. [61]

    Georges, G

    A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg, Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions, Rev. Mod. Phys. 68, 13 (1996)

    work page 1996

  62. [62]

    Kotliar, S

    G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti, Electronic structure calculations with dynamical mean-field theory, Rev. Mod. Phys. 78, 865 (2006)

    work page 2006

  63. [63]

    Biermann, F

    S. Biermann, F. Aryasetiawan, and A. Georges, First-Principles Approach to the Electronic Structure of Strongly Correlated Systems: Combining the GW Approximation and Dynamical Mean-Field Theory, Phys. Rev. Lett. 90, 086402 (2003)

    work page 2003

  64. [64]

    J. M. Tomczak, P. Liu, A. Toschi, G. Kresse, and K. Held, Merging GW with DMFT and non-local correlations beyond, Eur. Phys. J. Special Topics 226, 2565 (2017)

    work page 2017

  65. [65]

    Leonov, A

    I. Leonov, A. O. Shorikov, V. I. Anisimov, and I. A. Abrikosov, Emergence of quantum critical charge and spin-state fluctuations near the pressure-induced Mott transition in MnO, FeO, CoO, and NiO, Phys. Rev. B 101, 245144 (2020)

    work page 2020

  66. [66]

    G. M. Gaifutdinov and I. V. Leonov, Electronic correlations and long-range magnetic ordering in NiO tuned by pressure, Phys. Rev. B 110, 235103 (2024)

    work page 2024

  67. [67]

    Karakuzu, S

    S. Karakuzu, S. Johnston, and T. A. Maier, Superconductivity in the bilayer Hubbard model: Are two Fermi surfaces better than one?, Phys. Rev. B 104, 245109 (2021)

    work page 2021

  68. [68]

    Giannozzi, S

    P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo et al., QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials, J. Phys.: Condens. Matter 21, 395502 (2009)

    work page 2009

  69. [69]

    Giannozzi, O

    P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. B. Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni et al., Advanced capabilities for materials modelling with Quantum ESPRESSO, J. Phys.: Condens. Matter 29, 465901 (2017)

    work page 2017

  70. [70]

    Dal Corso, Pseudopotentials periodic table: From H to Pu, Comput

    A. Dal Corso, Pseudopotentials periodic table: From H to Pu, Comput. Mater. Sci. 95, 337 (2014)

    work page 2014

  71. [71]

    V. I. Anisimov, D. E. Kondakov, A. V. Kozhevnikov, I. A. Nekrasov, Z. V. Pchelkina, J. W. Allen, S.-K. Mo, H.-D. Kim, P. Metcalf, S. Suga, A. Sekiyama, G. Keller, I. Leonov, X. Ren, and D. Vollhardt, Full orbital calculation scheme for materials with strongly correlated electrons, Phys. Rev. B 71, 125119 (2005)

    work page 2005

  72. [72]

    Marzari, A

    N. Marzari, A. A. Mostofi, J. R. Yates, I. Souza, and D. Vanderbilt, Maximally localized Wannier functions: Theory and applications, Rev. Mod. Phys. 84, 1419 (2012)

    work page 2012

  73. [73]

    E. Gull, A. J. Millis, A. I. Lichtenstein, A. N. Rubtsov, M. Troyer, and P. Werner, Continuous-time Monte Carlo methods for quantum impurity models, Rev. Mod. Phys. 83, 349 (2011)

    work page 2011

  74. [74]

    Moreo, D

    A. Moreo, D. J. Scalapino, R. L. Sugar, S. R. White, and N. E. Bickers, Numerical study of the two-dimensional hubbard model for various band fillings, Phys. Rev. B 41, 2313 (1990)

    work page 1990

  75. [75]

    C. N. Varney, C.-R. Lee, Z. J. Bai, S. Chiesa, M. Jarrell, and R. T. Scalettar, Quantum monte carlo study of the two-dimensional fermion hubbard model, Phys. Rev. B 80, 075116 (2009)

    work page 2009

  76. [76]

    M. Qin, T. Sch\"afer, S. Andergassen, P. Corboz, and E. Gull, The hubbard model: A computational perspective, Annu. Rev. Condens. Matter Phys. 13, 275 (2022)

    work page 2022

  77. [77]

    Zaanen, G

    J. Zaanen, G. Sawatzky, and J. W. Allen, Band Gaps and Electronic Structure of Transition-Metal Compounds, Phys. Rev. Lett. 55, 418 (1985)

    work page 1985

  78. [78]

    Lee and W

    K.-W. Lee and W. E. Pickett, Phys. Rev. B 70, 165109 (2004)

    work page 2004

  79. [79]

    Kitatani, L

    M. Kitatani, L. Si, O. Janson, R. Arita, Z. Zhong, and K. Held, npj Quantum Mater. 5, 59 (2020)

    work page 2020

  80. [80]

    A. S. Botana, K.-W. Lee, M. R. Norman, V. Pardo, and W. E. Pickett, Front. Phys. 9, 813532 (2022)

    work page 2022

Showing first 80 references.