Influence of $f$ electrons on the electronic band structure of rare-earth nickelates
| Autor: | Przemysław Piekarz, Andrzej M. Oles, Surajit Basak, Andrzej Ptok |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2023 |
| Předmět: |
Superconductivity (cond-mat.supr-con)
Condensed Matter - Strongly Correlated Electrons Condensed Matter - Materials Science Strongly Correlated Electrons (cond-mat.str-el) Condensed Matter - Superconductivity electronic properties Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Condensed Matter Physics f electrons $f$ electrons rare earth nickelates Electronic Optical and Magnetic Materials |
| Zdroj: | Condensed Matter Volume 8 Issue 1 Pages: 19 |
| Popis: | Recently, superconductivity was discovered in the infinite layer of hole-doped nickelates NdNiO$_{2}$. Contrary to this, superconductivity in LaNiO$_{2}$ is still under debate. This indicates the crucial role played by the $f$ electrons on the electronic structure and the pairing mechanism of infinite-layer nickelates. Here we discuss the role of the electron correlations on the $f$ 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+$U$ approach. Increasing Coulomb interaction $U$ tends to shift the $f$ states away from the Fermi level. Surprisingly, independently of the position of $f$ 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$_{2}$ effective models. 10 pages, 3 figures |
| Databáze: | OpenAIRE |
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