Influence of Electrons on the Electronic Band Structure of Rare-Earth Nickelates
arXiv:2302.03381 · doi:10.3390/condmat8010019
Abstract
Recently, superconductivity was discovered in the infinite layer of hole-doped nickelates NdNiO. Contrary to this, superconductivity in LaNiO is still under debate. This indicates the crucial role played by the electrons on the electronic structure and the pairing mechanism of infinite-layer nickelates. Here we discuss the role of the electron correlations on the electron states and their influence on the electronic structure. We show that the lattice parameters are in good agreement with the experimental values, independent of the chosen parameters within the DFT+ approach. Increasing Coulomb interaction tends to shift the states away from the Fermi level. Surprisingly, independently of the position of states with respect to the Fermi energy, these states play an important role in the electronic band structure, which can be reflected in the modification of the NdNiO effective models.
10 pages, 3 figures
References in corpus (11)
- A superconducting praseodymium nickelate with infinite layer structure
- Nickelate superconductivity without rare-earth magnetism: (La,Sr)NiO
- Late transition-metal oxides with infinite-layer structure: Nickelates versus cuprates
- Synthesis and characterization of bulk Nd1-xSrxNiO2 and Nd1-xSrxNiO3
- Role of states in infinite-layer NdNiO
- Electronic structure of rare-earth infinite-layer ReNiO2 (Re=La, Nd)
- Orbital Selective Superconductivity in a Two-band Model of Infinite-Layer Nickelates
- Multiorbital processes rule the NdSrNiO normal state
- Superconductivity and Antiferromagnetism in NdNiO and CaCuO: A Cluster DMFT Study
- Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
- Magnetism in doped infinite-layer NdNiO2 studied by combined density functional theory and dynamical mean-field theory