Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: 
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 Study

Higashi, Keisuke; Winder, Mathias; Kuneš, J.; Hariki, Atsushi

doi:10.1103/physrevx.11.041009

Cited by 33 publications

(28 citation statements)

References 62 publications

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“…Some argued that holes may occupy other Ni 3d orbitals and the Hund coupling may favor a high spin state (S 1) [8,14,16]. This scenario seems inconsistent with joint analyses of XAS and RIXS experiments [18] and a number of other calculations [11,20]. Nevertheless, our model allows for a straightforward multi-orbital extension by considering a two-band Hubbard model of Ni 3d orbitals (or its projection at large U) plus hybridization with additional conduction bands.…”

Section: Future Perspectivementioning

confidence: 83%

“…It allows for a better treatment of charge fluctuations of the Ni 3d x 2 −y 2 orbitals, in particular for large Sr doping or small Coulomb interaction. One-band model with additional electron reservoir has been studied in the literature [18][19][20]. More complicated models including multiple Ni-3d orbitals have also been proposed, focusing on different aspects of the nickelate physics such as hybridization, Hund coupling, superconductivity, and topological properties [7][8][9][10][11][12][13][14][15][16][17]21].…”

Section: Model Hamiltonianmentioning

confidence: 99%

“…Recent discovery of superconductivity (SC) in infinite-layer Sr-doped NdNiO 2 films [1] and subsequently in hole doped LaNiO 2 and PrNiO 2 films [2][3][4][5] has stimulated intensive interest in condensed matter community. Despite of many theoretical and experimental efforts, there are still debates on its electronic structures and pairing mechanism [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21]. The study of possible Ni-based superconductivity was initially stimulated by cuprates, whose high T c mechanism remains one of the most challenging topics in past three decades [22][23][24][25].…”

Section: Introductionmentioning

confidence: 99%

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Self-Doping and the Mott-Kondo Scenario for Infinite-Layer Nickelate Superconductors

Yang

Zhang

2022

Front. Phys.

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We give a brief review of the Mott-Kondo scenario and its consequence in the recently-discovered infinite-layer nickelate superconductors. We argue that the parent state is a self-doped Mott insulator and propose an effective t- J-K model to account for its low-energy properties. At small doping, the model describes a low carrier density Kondo system with incoherent Kondo scattering at finite temperatures, in good agreement with experimental observation of the logarithmic temperature dependence of electric resistivity. Upon increasing Sr doping, the model predicts a breakdown of the Kondo effect, which provides a potential explanation of the non-Fermi liquid behavior of the electric resistivity with a power law scaling over a wide range of the temperature. Unconventional superconductivity is shown to undergo a transition from nodeless (d+is)-wave to nodal d-wave near the critical doping due to competition of the Kondo and Heisenberg superexchange interactions. The presence of different pairing symmetry may be supported by recent tunneling measurements.

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Section: Future Perspectivementioning

confidence: 83%

Section: Model Hamiltonianmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Self-Doping and the Mott-Kondo Scenario for Infinite-Layer Nickelate Superconductors

Yang

Zhang

2022

Front. Phys.

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“…First experimental hints on the (ir) relevance of the 3d 3z 2 −r 2 can be obtained from resonant inelastic X-ray scattering (RIXS) experiments [63,64]. Higashi et al [65] analyzed these RIXS data by comparison with DFT + DMFT and obtained good agreement with the experiment. They conclude that NdNiO 2 is slightly doped away from 3d 9 because of a small self-doping from the Nd 5d band and that only the 3d x 2 −y 2 Ni orbital (not the 3d 3z 2 −r 2 orbital) is partially filled and that the Ni-O hybridization plays a less important role than for the cuprates.…”

Section: Ni 3d 3z 2 −R 2 and T 2g Orbitalsmentioning

confidence: 99%

Phase Diagram of Nickelate Superconductors Calculated by Dynamical Vertex Approximation

Held

Worm

et al. 2022

Front. Phys.

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We review the electronic structure of nickelate superconductors with and without effects of electronic correlations. As a minimal model, we identify the one-band Hubbard model for the Ni 3dx2−y2 orbital plus a pocket around the A-momentum. The latter, however, merely acts as a decoupled electron reservoir. This reservoir makes a careful translation from nominal Sr-doping to the doping of the one-band Hubbard model mandatory. Our dynamical mean-field theory calculations, in part already supported by the experiment, indicate that the Γ pocket, Nd 4f orbitals, oxygen 2p, and the other Ni 3d orbitals are not relevant in the superconducting doping regime. The physics is completely different if topotactic hydrogen is present or the oxygen reduction is incomplete. Then, a two-band physics hosted by the Ni 3dx2−y2 and 3d3z2−r2orbitals emerges. Based on our minimal modeling, we calculated the superconducting Tc vs. Sr-doping x phase diagram prior to the experiment using the dynamical vertex approximation. For such a notoriously difficult to determine quantity as Tc, the agreement with the experiment is astonishingly good. The prediction that Tc is enhanced with pressure or compressive strain has been confirmed experimentally as well. This supports that the one-band Hubbard model plus an electron reservoir is the appropriate minimal model.

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“…On the other hand, the Ni 3d x 2 −y 2 states in the NiO 2 planes are quasi-2D and strongly correlated [64,74]. Nevertheless, the relevance of the rareearth 5d bands for the low-energy physics of IL nickelates is still under debate and proposals range from effective single-band to multi-orbital models, including various Ni 3d and rare-earth 5d as well as interstitial orbitals [62,63,[75][76][77][78][79][80][81][82][83][84][85][86][87][88][89]. Hence, future experiments probing the Fermi surface topology, such as angle resolved photoemission (ARPES) and quantum oscillation measurements, are highly desirable.…”

Section: Electronic Structurementioning

confidence: 99%

Soft X-Ray Spectroscopy of Low-Valence Nickelates

2021

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Low-valence nickelates—including infinite-layer (IL) and trilayer (TL) compounds—are longstanding candidates for mimicking the high-temperature superconductivity of cuprates. A recent breakthrough in the field came with the discovery of superconductivity in hole-doped IL nickelates. Yet, the degree of similarity between low-valence nickelates and cuprates is the subject of a profound debate for which soft x-ray spectroscopy experiments at the Ni L- and O K-edge provided critical input. In this review, we will discuss the essential elements of the electronic structure of low-valance nickelates revealed by x-ray absorption spectroscopy (XAS) and resonant inelastic x-ray scattering (RIXS). Furthermore, we will review magnetic excitations observed in the RIXS spectra of IL and TL nickelates, which exhibit characteristics that are partly reminiscent of those of cuprates.

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Core-Level X-Ray Spectroscopy of Infinite-Layer Nickelate: LDA+DMFT Study

Cited by 33 publications

References 62 publications

Self-Doping and the Mott-Kondo Scenario for Infinite-Layer Nickelate Superconductors

Self-Doping and the Mott-Kondo Scenario for Infinite-Layer Nickelate Superconductors

Phase Diagram of Nickelate Superconductors Calculated by Dynamical Vertex Approximation

Soft X-Ray Spectroscopy of Low-Valence Nickelates

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