Phase Diagram of Nickelate Superconductors Calculated by Dynamical Vertex Approximation

@inproceedings{Held2021PhaseDO,
  title={Phase Diagram of Nickelate Superconductors Calculated by Dynamical Vertex Approximation},
  author={Karsten Held and Liang Si and Paul Worm and Oleg Janson and Ryotaro Arita and Zhicheng Zhong and Jan M. Tomczak and Motoharu Kitatani},
  booktitle={Frontiers in Physics},
  year={2021}
}
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 3 d x 2 − y 2 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… 

Figures and Tables from this paper

Magnetic Properties and Pseudogap Formation in Infinite-Layer Nickelates: Insights From the Single-Band Hubbard Model

We study the magnetic and spectral properties of a single-band Hubbard model for the infinite-layer nickelate compound LaNiO2. As spatial correlations turn out to be the key ingredient for

Stabilization of singlet hole-doped state in infinite-layer nickelate superconductors

Motivated by the recent X-ray absorption spectroscopy (XAS) and resonant inelastic X-ray scattering (RIXS) experiments, we use a detailed impurity model to explore the nature of the parent compound

Low-energy plasmon excitations in infinite-layer nickelates

The discovery of superconductivity in infinite-layer nickelates is presently an important topic in condensed-matter physics, and potential similarities and differences with cuprates are under intense

$\textit{Ab initio}$ Materials Design of Superconductivity in $d^9$ Nickelates

Motivated by the recent theoretical materials design of superconducting d 9 nickelates for which the charge transfer from the NiO 2 to the block layer is completely suppressed [M. Hirayama et al. ,

Fingerprints of Topotactic Hydrogen in Nickelate Superconductors

Superconductivity has entered the nickel age marked by enormous experimental and theoretical efforts. Notwithstanding, synthesizing nickelate superconductors remains extremely challenging, not least

References

SHOWING 1-10 OF 91 REFERENCES

Correlations turn electronic structure of finite-layer nickelates upside down

Motivated by the recent discovery of superconductivity in the pentalayer nickelate Nd 6 Ni 5 O 12 [Nature Materials 10.1038], we calculate its electronic structure and superconducting critical

Electronic structure of the parent compound of superconducting infinite-layer nickelates

TLDR
X-ray spectroscopy and density functional theory are used to show that the electronic structure of the parent compound of superconducting infinite-layer nickelates, while similar to the copper-based high-temperature superconductors, has significant differences.

Electronic structure of nickelates: From two-dimensional heterostructures to three-dimensional bulk materials

Reduced dimensionality and strong electronic correlations, which are among the most important ingredients for cupratelike high-Tc superconductivity, characterize also the physics of nickelate-based

Nickelate superconductors—a renaissance of the one-band Hubbard model

The recently discovered nickelate superconductors appear, at first glance, to be even more complicated multi-orbital systems than cuprates. To identify the simplest model describing the nickelates,

Normal State of Nd1−xSrxNiO2 from Self-Consistent GW+EDMFT

The recent discovery of superconductivity in hole-doped NdNiO$_2$ thin films has captivated the condensed matter physics community. Such compounds with a formal Ni$^+$ valence have been theoretically

Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach

We discuss a general approach to a realistic theory of the electronic structure in materials containing correlated $d$ or $f$ electrons. The main feature of this approach is the taking into account

Superconductivity in infinite-layer nickelates: Role of f orbitals

Employing first-principles density functional theory calculations and Wannierization of the low energy band structure, we analyze the electronic structure of undoped, infinite-layer nickelate

Turning a nickelate Fermi surface into a cupratelike one through heterostructuring.

TLDR
Using the local density approximation and its combination with dynamical mean-field theory, it is shown that electronic correlations induce a single-sheet, cupratelike Fermi surface for hole-doped 1/1 LaNiO3/LaAlO3 heterostructures, indicating that "orbital engineering" by means ofheterostructuring should be possible.

Many-Body Electronic Structure of NdNiO2 and CaCuO2

The demonstration of superconductivity in nickelate analogues of high $T_c$ cuprates provides new perspectives on the physics of correlated electron materials. The degree to which the nickelate

Importance of d–p Coulomb interaction for high T C cuprates and other oxides

Current theoretical studies of electronic correlations in transition metal oxides typically only account for the local repulsion between d-electrons even if oxygen ligand p-states are an explicit
...