Dresden 2020 – wissenschaftliches Programm
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TT 20.2: Hauptvortrag
Dienstag, 17. März 2020, 10:00–10:30, HSZ 03
Materials design of dynamically stable d9 layered nickelates — •Ryotaro Arita — Department of Applied Physics, University of Tokyo, Tokyo, Japan — RIKEN Center for Emergent Matter Science, Saitama, Japan
The recent discovery of superconductivity in the doped nickelate Nd0.8Sr0.2NiO2 has stimulated renewed interest in unconventional superconductivity in layered correlated materials. Recently, we perform a systematic computational materials design of layered nickelates that are dynamically stable and whose electronic structure better mimics the electronic structure of high-Tc cuprates. While the Ni 3d orbitals are self-doped from the d9 configuration in NdNiO2 and the Nd-layer states form Fermi pockets, we find more than 10 promising compounds for which the self-doping is almost or even completely suppressed. We derive an effective single-band model for those materials and find that the system is in a strongly-correlated regime. We also investigate the possibility of palladate analogues of high-Tc cuprates. Once synthesized, these nickelates and palladates will provide a firm ground for studying superconductivity in the Mott-Hubbard regime of the Zaanen-Sawatzky-Allen classification, which will also help the understanding of the superconductivity in high-Tc cuprates realized in the charge-transfer regime.