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REVIEW 3 major objections 5 minor 68 references

{\it Ab initio} prediction of $d_{x^2-y^2}$-wave superconductivity in infinite-layer nickelates

T0 review · 3 major / 5 minor · reviewed 2026-08-05 · deepseek-v4-flash

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Pith's one-line read Spin fluctuations, not phonons, drive superconductivity in infinite-layer nickelates, according to ab initio calculations that reproduce the measured transition temperatures and predict a sign-changing d-wave gap.

desk verdict First fully ab initio SCDFT for nickelates gives a coherent SF-driven d-wave story; the quantitative core leans on an undocumented Stoner/susceptibility input that needs to be shown before the numbers are trusted. read the letter →

arxiv 2608.00512 v1 pith:QSNLL6XL submitted 2026-08-01 cond-mat.supr-con cond-mat.mtrl-scicond-mat.str-el

Guang-Yu Guo , Ren-Guo Guo , Yun-Chen Liao , Yang-hao Chan This is my paper
classification cond-mat.supr-concond-mat.mtrl-scicond-mat.str-el
keywords infinite-layernickelatesd-wavesuperconductivityspin-fluctuationpairingSCDFTtwo-bandsuperconductorB1ggapsymmetryFermisurfacenestingnodalstructure
verification ladder T0 review T1 audit T2 compute T3 formal

The pith

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

The reading

The paper claims that optimally doped infinite-layer nickelates Re0.8Sr0.2NiO2 (Re = La, Pr, Nd) superconduct through a magnetic pairing mechanism, with a two-band d-wave gap that changes sign between different Fermi surface pockets. Using density functional theory for superconductors, treating electron-phonon coupling, screened Coulomb repulsion, and spin-fluctuation interaction on equal footing, the authors find transition temperatures close to experiments (about 9–16 K) only when spin fluctuations are included; without them, Tc collapses to about 0.01 K. The gap has B1g symmetry, a nodal dx2−y2 form, and opposite signs on the central hole sheet and the corner electron pockets, with its origin traced to nesting peaks in the Lindhard response near (π,π). If correct, the nickelates share the cuprates' magnetic pairing mechanism, and the predicted scanning tunneling spectra can be verified immediately.

What carries the argument

The machinery is the density functional theory for superconductors (SCDFT) gap equation, whose kernel combines electron-phonon coupling, screened Coulomb repulsion, and a spin-fluctuation interaction, together with the bare Lindhard susceptibility χ0(q) and the Stoner-enhanced effective interaction V(q) = (3I²/4) χ0(q)/(1 − Iχ0(q)). The Lindhard peaks near Q = (π/a, π/a) are the objects that enforce the sign-reversing d-wave structure, since a repulsive interaction at nesting momentum requires Δk = −Δk+Q, which the B1g basis function x² − y² satisfies on the two Fermi pockets.

What would settle it

A decisive test would be to measure the spin-fluctuation spectrum (e.g., neutron scattering or RIXS) in La0.8Sr0.2NiO2 and look for a peak near Q = (π,π); alternatively, phase-sensitive tunneling could detect the predicted sign change between the central hole pocket and the corner electron pockets; high-resolution ARPES on Nd and Pr nickelates could falsify the Fermi-surface topology that hosts the nesting.

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Extended reading notes

Core claim

The paper claims that in Re0.8Sr0.2NiO2 (Re = La, Pr, Nd), superconductivity is unconventional and magnetic: the SCDFT gap equation, solved with electron-phonon, screened Coulomb, and spin-fluctuation kernels on equal footing, yields a B1g, sign-changing dx2−y2 gap on two disconnected Fermi-surface pockets, with Tc of 7.3 K, 12.7 K, and 16.1 K for La, Pr, Nd respectively, close to measured values. Computer experiments isolating individual interactions show that phonons alone give about 1 K Tc, which screened Coulomb repulsion almost completely kills, while adding spin fluctuations raises Tc to the experimental scale; on the large central hole pocket the spin-fluctuation pairing strength is a

Load-bearing premise

The calculation assumes that the random-phase or adiabatic-LDA spin susceptibility faithfully captures the real magnetic response of the strongly correlated Ni 3d electrons, and that representing 20% Sr doping by a single undistorted formula unit preserves the Fermi-surface nesting; if either fails, the predicted d-wave pairing weakens or changes symmetry.

Editorial extensions

If this is right

  • Electron-phonon coupling alone gives Tc of about 1 K in these nickelates, so any successful theory of their superconductivity must include spin fluctuations as the dominant pairing glue.
  • The predicted two-band sign-changing gap produces a V-shaped quasiparticle density of states and characteristic scanning tunneling spectra for La and Pr nickelates that can be measured now.
  • The B1g gap symmetry rules out the alternative s-wave two-gap scenario and gives a concrete target for phase-sensitive experiments.
  • The calculated Tc values (7.3 K, 12.7 K, 16.1 K for La, Pr, Nd) match the measured dome and could guide further doping studies across the nickelate family.

Reading between the lines

Editorial extensions of the paper, not claims the author makes directly.

  • A natural extension is to test whether the predicted pairing survives random Sr disorder by explicit supercell or coherent-potential calculations; the one-formula-unit doping approximation is the softest spot in the doping model.
  • The same ab initio machinery could be applied to the recently reported Sm-based infinite-layer nickelate to predict its Tc and gap symmetry, giving a falsifiable dome prediction.
  • If the spin-fluctuation peak near Q = (π,π) is confirmed by neutron scattering or RIXS, the nickelates would become a clean laboratory for d-wave pairing without the pseudogap complications often discussed in cuprates.
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Editorial analysis

A structured set of objections, weighed in public.

Desk editor's note, referee report, and a circularity audit.

Referee Report

3 major / 5 minor

Summary. The paper presents fully ab initio SCDFT calculations of the superconducting state in optimally doped infinite-layer nickelates Re_0.8Sr_0.2NiO_2 (Re = La, Pr, Nd), treating electron-phonon coupling, screened Coulomb repulsion, and spin-fluctuation pairing on an equal footing. The central claims are that all three materials are two-band superconductors with sign-changing d_{x^2-y^2}(±) gaps of B1g symmetry, that the pairing is driven by antiferromagnetic spin fluctuations near q ≈ (π/a, π/a), and that the calculated Tc values (7.3, 12.7, 16.1 K) agree with experiment. The mechanism is supported by computer experiments in Sec. VI in which turning off the spin-fluctuation kernel reduces Tc to ~0.01 K, and by analysis of the Lindhard response function showing nesting peaks near the BZ corner. The paper also predicts STS spectra and compares the Fermi surface with ARPES for LaSrNiO.

Significance. If the central result holds, this is a significant contribution to the nickelate superconductivity debate: it provides a parameter-free, first-principles framework that identifies a magnetic pairing mechanism and a concrete d-wave gap structure, in contrast to previous GW-based phonon-mediated s-wave predictions (Ref. 31). The switch-off tests, self-consistent solution of the SCDFT gap equation, and agreement of the calculated Fermi surface with ARPES for LaSrNiO are genuine strengths. The predictions for STS spectra are falsifiable and should stimulate experiments. However, the quantitative SF strength and hence the magnitude of Tc and the relative dominance of μ_SF over λ and μ_ee depend on a spin susceptibility computed in ALDA for a strongly correlated Ni 3d shell, with an undocumented Stoner parameter I in Eq. (3). This caveat is load-bearing, not cosmetic.

major comments (3)
  1. [Sec. VI, Eq. (3); Sec. II] The Stoner exchange parameter I in V_eff(k,k') = (3/4) I^2 χ_0(q)/(1 - I χ_0(q)) is never assigned a numerical value, and no derivation or DFT-based estimate is given. Because the RPA-like denominator strongly amplifies χ_0 near the nesting peaks, the resulting μ_SF, Tc, and the claimed order-of-magnitude dominance of SF over EPC/Coulomb all depend sensitively on I. The statement in Sec. II that RPA and ALDA results 'do not differ significantly' is not documented with any data, and no benchmark of χ_0(q) against RPA, RIXS, or neutron data is provided. The paper should report I, specify how it is obtained, and show the sensitivity of Tc and gap symmetry to I (and to the ALDA/RPA choice). Without this, the central quantitative claim is not fully established.
  2. [Sec. III; Sec. VI] The calculations use a one-formula-unit cell for Re_0.8Sr_0.2NiO_2, but the text never states how the 20% Sr substitution is modeled (e.g., virtual crystal approximation, supercell, or rigid-band doping). The Fermi surface nesting that controls the Lindhard response peaks and the d-wave gap structure is sensitive to doping and to the position of the chemical potential. The alloying approximation should be described explicitly, and its effect on χ_0(q) and Tc should be assessed, at least for one representative compound.
  3. [Secs. II, III, V] No convergence tests are reported for the BZ k/q grids, the tetrahedron integration, or the SCDFT gap-equation discretization. Since the susceptibility peaks in Figs. 5 and 6 are sharp and the SCDFT Tc values are obtained by extrapolation over a temperature mesh, convergence of Tc, Δ_max, and the gap structure should be demonstrated. This is particularly important because the SF kernel enters both the pairing kernel and the renormalization Z_SF, and small changes in the peak height of χ_0 can change Tc substantially.
minor comments (5)
  1. [Affiliations] Typographical errors: 'National Center for Theoretical Science s' and 'Academia Sinic a' in the author affiliations.
  2. [Sec. III] The sentence 'Its unit cell contains one formula unit (f.u.)' should be reconciled with the disordered Re_0.8Sr_0.2 composition; the disorder model needs to be stated here.
  3. [Sec. VII and Appendix B] The discussion of the GW-based s-wave prediction (Ref. 31) is fair, but the comparison would be strengthened by a brief discussion of the different Fermi surface topologies and doping treatments; currently the reader must infer them from the cited works.
  4. [Fig. 5 caption] In the caption, 'Figs. 5(b) and 5(b)' should presumably read 'Figs. 5(b) and 5(d)'; similarly check references in Fig. 6 captions.
  5. [Appendix B] The Allen-Dynes McMillan formula is stated with a parameter μ_c^* but the symbol μ is later used for the SCDFT Coulomb pseudopotential; the distinct meanings should be clarified.

Circularity Check

0 steps flagged · score 0.0 of 10

No significant circularity: SCDFT derivation is self-contained; d-wave gap and Tc are outputs, not fitted inputs.

full rationale

The central derivation solves the SCDFT gap equation (Eq. 1) with kernels computed from DFT/DFPT electronic structure, phonons, and RPA/ALDA susceptibilities. The d-wave gap symmetry and Tc emerge from the self-consistent solution, not from an input ansatz. The paper's 'computer experiments' (turning off SF and Coulomb interactions) isolate the SF contribution and show it is necessary for the high Tc, which is a legitimate decomposition of the kernel, not circularity. The Lindhard response (Eq. 2) is used after the fact to explain the gap structure; it is not used to define the gap. The only substantive caveat is that the Stoner parameter I in Eq. (3) is not numerically reported, and the ALDA susceptibility is not benchmarked against inelastic neutron scattering or RIXS. However, the text cites Janak [59] for a DFT-based route to I and gives no evidence that I was tuned to experimental Tc. This is a reproducibility/correctness concern, not a self-referential reduction. The self-citations in the manuscript ([11], [58], [64]) are used for analogies or standard formulas and are not load-bearing. No circular step can be exhibited from the text.

Assumptions & free parameters 1 free parameters · 3 assumptions · 0 invented entities

The central claim rests on the ALDA/RPA magnetic response and on an implicit doping approximation, both inherited from standard DFT practice rather than introduced as new entities. No new particles, forces, or conservation laws are postulated. The only parameter-like quantity of concern is the Stoner I in the explanatory Eq. (3), whose source is not documented.

free parameters (1)
  • Stoner exchange parameter I (Eq. 3) = not reported
    The illustrative SF interaction V_eff = (3/4) I^2 chi0 / (1 - I chi0) is invoked, but the paper does not state how I is computed or whether Eq. (3) is the kernel used in the SCDFT calculation. If I were chosen to match experiments, the SF strength and Tc would be fitted quantities.
assumptions (3)
  • domain assumption LDA/ALDA spin susceptibility is quantitatively reliable for strongly correlated Ni 3d electrons in Re0.8Sr0.2NiO2.
    Secs. II, III and VI derive the spin-fluctuation kernel and Lindhard peaks from LDA bands with RPA or ALDA response, and no Hubbard U correction is applied. If this overestimates the Stoner enhancement near Q=(pi,pi), the SF-driven Tc would collapse.
  • domain assumption The 20% Sr substitution can be represented in a one-formula-unit cell without explicit disorder modeling.
    Sec. III states that the unit cell contains one formula unit, and Table I lists Re/Sr contributions, but no supercell, virtual-crystal approximation, or other alloying method is specified. This affects the Fermi surface nesting that controls the gap symmetry.
  • domain assumption Spin-fluctuation effects are fully captured by the normal-state response, with no experimental magnetic response used as a benchmark.
    Sec. VI and Appendix C compute the SF interaction from the bare susceptibility and an RPA/ALDA enhancement; no neutron scattering or other measured spin-excitation spectrum is used to validate the SF channel.

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Pith. "Pith review of {\it Ab initio} prediction of $d_{x^2-y^2}$-wave superconductivity in infinite-layer nickelates." pith.science (2026). https://pith.science/paper/QSNLL6XL

@misc{pith2026260800512,
  author       = {Pith},
  title        = {Pith review of: \it Ab initio prediction of $d_x^2-y^2$-wave superconductivity in infinite-layer nickelates},
  year         = {2026},
  howpublished = {\url{https://pith.science/paper/QSNLL6XL}},
  note         = {Machine review of arXiv:2608.00512}
}
abstract

Infinite-layer nickelates have recently emerged as a new family of potential unconventional high critical temperature ($T_c$) superconductors. However, fundamental questions such as their superconducting (SC) pairing mechanism and gap symmetry remain under intense debate. Here we present a fully {\it ab initio} theoretical study on the SC properties of optimally doped nickelates $Re$$_{0.8}$Sr$_{0.2}$NiO$_2$ ($Re=$ La, Pr, Nd), based on the density functional theory for superconductors calculations with electron-phonon coupling (EPC), screened Coulomb repulsion and spin fluctuation (SF) interaction treated on an equal footing. We find that $Re_{0.8}$Sr$_{0.2}$NiO$_2$ are two-band superconductors with sign reversal $d_{x^2-y^2}(\pm)$-wave gap functions on the different Fermi surface (FS) pockets. Interestingly, when the SF interaction is turned off, $T_c$ becomes negligibly small ($\sim$0.01 K), thus demonstrating that the superconductivity in $Re_{0.8}$Sr$_{0.2}$NiO$_2$ is driven by SF interaction. Moreover, our {\it ab initio} calculations reveal that the SF interaction is an order of magnitude stronger than both EPC and Coulomb repulsion on the large quasi-two-dimensional FS pocket around the Brillouin zone (BZ) center, thus leading to the SF-mediated pairing mechanism, although the EPC dominates on the small three-dimensional electron FS pockets at the BZ corners. The emergence of nodal $d_{x^2-y^2}(\pm)$-wave gap structure is traced to the pronounced peaks in the Lindhard response function at the BZ corners. Our calculated FS, SC critical temperature, nodal gap structure and SC quasiparticle density of states are consistent with most available experiments. Furthermore, predicted unconventional SC properties such as scanning tunneling spectra of La$_{0.8}$Sr$_{0.2}$NiO$_2$ and Pr$_{0.8}$Sr$_{0.2}$NiO$_2$ are ready for immediate experimental verifications.

Figures

Figures reproduced from arXiv: 2608.00512 by the authors.

Figure 2
Figure 2. FIG. 2. Electronic structures of LaSrNiO and PrSrNiO. (a,b) [PITH_FULL_IMAGE:figures/full_fig_p003_2.png] view at source ↗
Figure 1
Figure 1. FIG. 1. Crystal and electronic structures. (a,b) Crystal [PITH_FULL_IMAGE:figures/full_fig_p003_1.png] view at source ↗
Figure 3
Figure 3. FIG. 3. Superconducting gap functions. (a) Averaged [PITH_FULL_IMAGE:figures/full_fig_p004_3.png] view at source ↗
Figures from the paper (8 more)
Figure 5
Figure 5. Figure 5: FIG. 5. Lindhard response function. Calculated bare suscep [PITH_FULL_IMAGE:figures/full_fig_p005_5.png]
Figure 6
Figure 6. Figure 6: FIG. 6. Lindhard response function. Calculated bare sus [PITH_FULL_IMAGE:figures/full_fig_p006_6.png]
Figure 7
Figure 7. Figure 7: FIG. 7. Superconducting quasiparticle density of states. ( [PITH_FULL_IMAGE:figures/full_fig_p007_7.png]
Figure 10
Figure 10. Figure 10: First, it is clear from Fig. 10 that all three [PITH_FULL_IMAGE:figures/full_fig_p009_10.png]
Figure 8
Figure 8. Figure 8: FIG. 8. (a,d) Phonon dispersion, (b,e) phonon density of [PITH_FULL_IMAGE:figures/full_fig_p010_8.png]
Figure 9
Figure 9. Figure 9: FIG. 9. (a) Phonon dispersion, (b) phonon density of states [PITH_FULL_IMAGE:figures/full_fig_p010_9.png]
Figure 10
Figure 10. Figure 10: FIG. 10. Electronic state [PITH_FULL_IMAGE:figures/full_fig_p011_10.png]
Figure 11
Figure 11. Figure 11: FIG. 11. Band [PITH_FULL_IMAGE:figures/full_fig_p011_11.png]

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Works this paper leans on

68 extracted references · 62 canonical work pages

  1. [1]

    J. G. Bednorz and K. A. M¨ uller, Possible high T c super- conductivity in the Ba-La-Cu-O system, Z. Phys. B 64, 908 (1986)

    work page 1986

  2. [2]

    1 and 2), for simplicity, we focus on NdSrNiO unless other- wise stated

    Since the electronic structure and physical proper- ties of all three nickelates are similar (see Figs. 1 and 2), for simplicity, we focus on NdSrNiO unless other- wise stated. Figure 1(c) shows that two bands (labelled H and E) cross the Fermi level ( EF ). Consequently, the Fermi surface (FS) consists of a large quasi-two- 4 dimensional cylinder at the ...

    work page

  3. [3]

    Schilling, M

    A. Schilling, M. Cantoni, J. D. Guo and H. R. Ott, Super- conductivity above 130 K in the Hg-Ba-Ca-Cu-O system, Nature (London) 363, 56 (1993)

    work page 1993

  4. [4]

    Bardeen, L

    J. Bardeen, L. N. Cooper and J. R. Schrieffer, Theory of superconductivity, Phys. Rev. 108, 1175 (1957)

    work page 1957

  5. [5]

    M. K. Wu, J. R. Ashburn, C. J. Torng, P. H. Hor, R. L. Meng, L. Gao, Z. J. Huang, Y. Q. Wang and C. W. Chu, Superconductivity at 93 K in a new mixed-phase Y-Ba- Cu-O compound system at ambient pressure, Phys. Rev. Lett. 58, 908 (1987)

    work page 1987

  6. [6]

    C. C. Tsuei and J. R. Kirtley, Pairing symmetry in cuprate superconductors, Rev. Mod. Phys. 72, 969 (2000)

    2000

  7. [7]

    Hashimoto, I

    M. Hashimoto, I. M. Vishik, R.-H. He, T. P. Dev- ereaux and Z.-X. Shen, Energy gaps in high-transition- temperature cuprate superconductors, Nature Phys. 14, 483 (2014)

    work page 2014

  8. [8]

    D. J. Scalapino, Superconductivity and spin fluctuations, J. Low Temp. Phys. 117, 179 (1999)

    work page 1999

Show all 68 references
  1. [9]

    On the other hand, light O atomic vibrations become domi- nant above ∼24 meV

    Below ∼20 meV, the PhDOS is dominated by the vi- brations of heavy rare earth atoms (La, Pr and Nd). On the other hand, light O atomic vibrations become domi- nant above ∼24 meV. The vibrations of Ni atoms make significant contributions in the middle frequency range from 10 meV...

  2. [10]

    C. Wen, Z. Hou, A. Akban, K. Chen, W. Hong, H. Yang, I. Eremin, Y. Li and Hai-Hu Wen, Unprecedentedly large gap in HgBa 2Ca2Cu3O8+δ with the highest Tc at ambient pressure, npj Quant. Mater. 10, 20 (2025)

    2025

  3. [11]

    Z ep nk and Z SF nk represent, respectively, nk- dependent EPC and SF-interaction contributions to the renormalization of electronic state nk

    Note that the distribution of the nk-dependent EPC ( Z ep nk) contribution to the renormalization Znk in ReSrNiO is identical to that of λnk, and thus is not shown here. Z ep nk and Z SF nk represent, respectively, nk- dependent EPC and SF-interaction contributions to the reno...

  4. [12]

    Keimer, S

    B. Keimer, S. A. Kivelson, M. R. Norman, S. Uchida, and J. Zaanen, From quantum matter to high-temperature superconductivity in copper oxides, Nature (London) 518, 179 (2015)

    2015

  5. [13]

    X. Luo, H. Chen, Y. Li, Q. Gao, C. Yin, H. Yan, T. Miao, H. Luo, Y. Shu, Y. Chen et al. , Electronic origin of high superconducting critical temperature in trilayer cuprates, Nature Phys. 19, 1841 (2023)

    2023

  6. [14]

    G. Y. Guo and W. M. Temmerman, Electronic structure and magnetism in La 2NiO4, J. Phys. C: Solid State Phys. 21, L803 (1988)

    1988

  7. [15]

    V. I. Anisimov, D. Bukhvalov and T. M. Rice, Electronic structure of possible nickelate analogs to the cuprates, Phys. Rev. B 59, 7901 (1999)

    1999

  8. [16]

    Lee and W

    K.-W. Lee and W. E. Pickett, Infinite-layer nickelate LaNiO2: Ni 1+ is not Cu 2+, Phys. Rev. B 70, 165109 (2004)

    2004

  9. [17]

    Hansmann, X

    P. Hansmann, X. Yang, A. Toschi, G. Khaliullin, O. K. Andersen and K. Held, Turning a nickelate Fermi surface into a cuprate-like one through heterostructuring, Phys. Rev. Lett. 103, 016401 (2009)

    2009

  10. [18]

    D. Li, B. Y. Wang, K. Lee, S. P. Harvey, M. Osada, B. H. Goodge, L. F. Kourkoutis, and H. Y. Hwang, Supercon- ductivity in an infinite-layer nickelate, Nature (London) 572, 624 (2019)

    2019

  11. [19]

    Zeng et al., Phase diagram and superconducting dome of infinite-Layer Nd 1−xSrxNiO2 thin films, Phys

    S. Zeng et al., Phase diagram and superconducting dome of infinite-Layer Nd 1−xSrxNiO2 thin films, Phys. Rev. Lett. 125, 147003 (2020)

    2020

  12. [20]

    Osada, B

    M. Osada, B. Y. Wang, K. Lee, D. Li and H. Y. Hwang, Phase diagram of infinite layer praseodymium nickelate Pr1−xSrxNiO2 thin films, Phys. Rev. Mater. 4, 121801(R) (2020)

    2020

  13. [21]

    D. Li, B. Y. Wang, K. Lee, S. P. Harvey, M. Osada, B. H. Goodge, L. F. Kourkoutis, and H. Y. Hwang, Super- conducting dome in Nd 1−xSrxNiO2 infinite layer films, Phys. Rev. Lett. 125, 027001 (2020)

    2020

  14. [22]

    Osada, B

    M. Osada, B. Y.Wang, B. H. Goodge, S. P. Harvey, K. Lee, D. Li, L. F. Kourkoutis, and H. Y. Hwang, Nick- elate superconductivity without rare-earth magnetism: (La,Sr)NiO2, Adv. Mater. 33, 2104083 (2021)

    2021

  15. [23]

    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 superconductin g (NdSr)NiO2, Nature (London) 619, 288 (2023)

    2023

  16. [24]

    Osada, K

    M. Osada, K. Fujiwara, T. Nojima and A. Tsukazaki, Improvement of superconducting properties in La1−xSrxNiO2 thin films by tuning topochemical reduction temperature, Phys. Rev. Mater. 7, L051801 (2023)

    2023

  17. [25]

    S. L. E. Chow, Z. Luo and A. Ariando, Bulk supercon- ductivity near 40 K in hole-doped SmNiO 2 at ambient pressure, Nature (London) 642, 58 (2025)

    2025

  18. [26]

    Nomura, M

    Y. Nomura, M. Hirayama, T. Tadano, Y. Yoshimoto, K. Nakamura, and R. Arita, Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO 2, Phys. Rev. B 100, 205138 (2019)

    2019

  19. [27]

    A. S. Botana and M. R. Norman, Similarities and differ- ences between LaNiO 2 and CaCuO 2 and implications for superconductivity, Phys. Rev. X 10, 011024 (2020)

    2020

  20. [28]

    Nomura and R

    Y. Nomura and R. Arita, Superconductivity in infinite- layer nickelates, Rep. Prog. Phys. 85, 052501 (2022)

    2022

  21. [29]

    X. Wu, D. D. Sante, T. Schwemmer, W. Hanke, H. Y. Hwang, S. Raghu and R. Thomale, Robust dx2−y2-wave superconductivity of infinite-layer nickelates, Phys. Rev . B 101, 060504 (2020)

    2020

  22. [30]

    Sakakibara, H

    H. Sakakibara, H. Usui, K. Suzuki, T. Kotani, H. Aoki, and K. Kuroki, Model construction and a possibility of cupratelike pairing in a new d9 nickelate superconductor (Nd,Sr)NiO2, Phys. Rev. Lett. 125, 077003 (2020)

    2020

  23. [31]

    S. P. Harvey, B. Y. Wang, J. Fowlie, M. Osada, K. Lee, Y. Lee, D. Li, and H. Y. Hwang, Evidence for nodal superconductivity in infinite-layer nickelates, PNAS 122, e2427243122 (2025)

    2025

  24. [32]

    Q. Gu, Y. Li, S. Wan, H. Li, W. Guo, H. Yang, Q. Li, X. Zhu, X. Pan, Y. Nie and H.-H. Wen, Single particle tunneling spectrum of superconducting Nd 1−xSrxNiO2 thin films, Nature Commun. 11, 6027 (2020)

    2020

  25. [33]

    L. E. Chow, S. K. Sudheesh, Z. Y. Luo, P. Nandi, T. Heil, J. Deuschle, S. W. Zeng, Z. T. Zhang, S. Prakash, X. M. Du, Z. S. Lim, P. A. van Aken, E. E. M. Chia, A. Ariando, Pairing symmetry in infinite-layer nickelate superconductor, arXiv:2201.10038v2

    arXiv

  26. [34]

    Li and S

    Z. Li and S. G. Louie, Two-Gap Superconductivity and the Decisive Role of Rare-Earth d Electrons in Infinite- Layer Nickelates, Phys. Rev. Lett. 133, 126401 (2024)

    2024

  27. [35]

    L. N. Oliveira, E. K. U. Gross and W. Kohn, Density- functional theory for superconductors, Phys. Rev. Lett. 60, 2430 (1988)

    1988

  28. [36]

    Lueders, M

    M. Lueders, M. A. L. Marques, N. N. Lathiotakis, A. Floris, G. Profeta, L. Fast, A. Continenza, S. Massidda and E. K. U. Gross, Ab initio theory of superconduc- tivity. I. Density functional formalism and approximate functionals, Phys. Rev. B 72, 024545 (2005)

    2005

  29. [37]

    M. A. L. Marques, M. Lueders, N. N. Lathiotakis, G. 13 Profeta, A. Floris, L. Fast, A. Continenza and E. K. U. Gross, Ab initio theory of superconductivity. II. Applica- tion to elemental metals, Phys. Rev. B 72, 024545 (2005)

    2005

  30. [38]

    Kawamura, Y

    M. Kawamura, Y. Hizume and T. Ozaki, Benchmark of density functional theory for superconductors in elemen- tal materials, Phys. Rev. B 101, 134511 (2020)

    2020

  31. [39]

    Akashi and R

    R. Akashi and R. Arita, Development of density- functional theory for a plasmon-assisted superconduct- ing state: Application to lithium under higher pressure, Phys. Rev. Lett. 111, 057006 (2013)

    2013

  32. [40]

    Essenberger, A

    F. Essenberger, A. Sanna, A. Linscheid, F. Tandetzky, G. Profeta, P. Cudazzo and E. K. U. Gross, Supercon- ducting pairing mediated by spin fluctuations from first principles Phys. Rev. B 90, 214504 (2014)

    2014

  33. [41]

    Floris, G

    A. Floris, G. Profeta, N. N. Lathiotakis, M. L¨ uders, M. A. L. Marques, C. Franchini and E. K. U. Gross, Su- perconducting properties of MgB 2 from first principles, Phys. Rev. Lett. 94, 037004 (2005)

    2005

  34. [42]

    Baroni, S

    S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Gi- annozzi, Phonons and related crystal properties from density-functional perturbation theory, Rev. Mod. Phys. 73, 515 (2001)

    2001

  35. [43]

    Gell-Mann and K

    M. Gell-Mann and K. Brueckner, Correlation Energy of an Electron Gas at High Density, Phys. Rev. 106, 364 (1957)

    1957

  36. [44]

    Zangwill and P

    A. Zangwill and P. Soven, Density-functional approach to local-field effects in finite systems: Photoabsorption in the rare gases, Phys. Rev. A 21, 1561 (1980)

    1980

  37. [45]

    Tsutsumi, Y

    K. Tsutsumi, Y. Hizume, M. Kawamura, R. Akashi and S. Tsuneyuki, Effect of spin fluctuations on superconduc- tivity in V and Nb: A first-principles study, Phys. Rev. B 102, 214515 (2020)

    2020

  38. [46]

    M. A. Hayward and M. J. Rosseinsky, Synthesis of the infinite layer Ni(I) phase NdNiO 2+x by low temperature reduction of NdNiO 3 with sodium hydride, Solid State Sci. 5, 839 (2023)

    2023

  39. [47]

    W. Sun, Z. Jiang, C. Xia, B. Hao, S. Yan, M. Wang, Y. Li, H. Liu, J. Ding, J. Liu, Z. Liu, J. Liu, H. Chen, D. Shen and Y. Nie, Electronic structure of supercon- ducting infinite-layer lanthanum nickelates, Sci. Adv. 11, eadr5116 (2025)

    2025

  40. [48]

    J. P. Perdew and A. Zunger, Self-interaction correction to density-functional approximations for many-electron systems, Phys. Rev. B 23, 5048 (1981)

    1981

  41. [49]

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

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

    2014

  42. [50]

    https://www.quantum-espresso.org/pseudopotentials

  43. [51]

    Giannozzi, S

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

    2009

  44. [52]

    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)

    2017

  45. [53]

    Kawamura, Y

    M. Kawamura, Y. Gohda and S. Tsuneyuki, Improved tetrahedron method for the Brillouin-zone integration ap- plicable to response function, Phys. Rev. B 89, 094515 (2014)

    2014

  46. [54]

    http://sctk.osdn.jp/

  47. [55]

    Kawamura, FermiSurfer: Fermi-surface viewer pro- viding multiple representation schemes, Comp

    M. Kawamura, FermiSurfer: Fermi-surface viewer pro- viding multiple representation schemes, Comp. Phys. Commun. 239, 197 (2019)

    2019

  48. [56]

    Sakakibara, H

    H. Sakakibara, H. Usui, K. Kuroki, R. Arita and H. Aoki, Origin of the material dependence of Tc in the single- layered cuprates, Phys. Rev. B 85, 064501 (2012)

    2012

  49. [57]

    J. F. Annett, Symmetry of the order parameter for high-temperature superconductivity, Adv. Phys. 39, 83 (1990)

    1990

  50. [58]

    Yip and Anupam Garg, Superconducting states of re- duced symmetry: General order parameters and physical implications, Phys

    S. Yip and Anupam Garg, Superconducting states of re- duced symmetry: General order parameters and physical implications, Phys. Rev. B 48, 3304 (1993)

    1993

  51. [59]

    J. P. Carbotte, Properties of boson-exchange supercon- ductors, Rev. Mod. Phys. 62, 1027 (1990)

    1990

  52. [60]

    Sigrist, Introduction to unconventional superconduc- tivity, AIP Conf

    M. Sigrist, Introduction to unconventional superconduc- tivity, AIP Conf. Proc. 789, 165 (2005)

    2005

  53. [61]

    S. P. Keshri and G.-Y. Guo, Ab initio study of orbital- selective superconductivity in γ-BiPd, Phys. Rev. B 112, 214518 (2025)

    2025

  54. [62]

    J. F. Janak, Uniform susceptibilities of metallic elements , Phys. Rev. B 16, 255 (1977)

    1977

  55. [63]

    Kawamura, R

    M. Kawamura, R. Akashi and S. Tsuneyuki, Anisotropic superconducting gaps in YNi 2B2C: A first-principles in- vestigation, Phys. Rev. B 95, 054506 (2017)

    2017

  56. [64]

    Prozorov and R.W

    R. Prozorov and R.W. Giannetta, Magnetic penetra- tion depth in unconventional superconductors, Super- cond. Sci. Technol. 19, R41 (2006)

    2006

  57. [65]

    Cheng, D

    B. Cheng, D. Cheng, K. Lee, L. Luo, Z. Chen, Y. Lee, B. Y. Wang, M. Mootz, I. E. Perakis, Z.-X. Shen, H. Y. Hwang, and J. Wang, Evidence for d-wave superconduc- tivity of infinite-layer nickelates from low-energy electr o- dynamics, Nat. Mater. 23, 775 (2024)

    2024

  58. [66]

    Ponce, E

    S. Ponce, E. R. Margine, C. Verdi, and F. Giustino, EPW: Electron–phonon coupling, transport and super- conducting properties using maximally localized Wannier functions, Computer Physics Communications 209, 116 (2016)

    2016

  59. [67]

    K. R. Babu and G.-Y. Guo, Electron-phonon coupling, superconductivity, and nontrivial band topology in NbN polytypes, Phys. Rev. B 99, 104508 (2019)

    2019

  60. [68]

    W. L. McMillan, Transition Temperature of Strong- Coupled Superconductors, Phys. Rev. 167, 331 (1968)

    1968

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