Closing in on possible scenarios for infinite-layer nickelates: comparison of dynamical mean-field theory with angular-resolved photoemission spectroscopy
| Autor: | Si, Liang, Jacob, Eric, Wu, Wenfeng, Hausoel, Andreas, Krsnik, Juraj, Worm, Paul, Di Cataldo, Simone, Janson, Oleg, Held, Karsten |
|---|---|
| Rok vydání: | 2024 |
| Předmět: | |
| Druh dokumentu: | Working Paper |
| Popis: | Conflicting theoretical scenarios for infinite-layer nickelate superconductors have been hotly debated, particularly regarding whether {only} a single Ni-3$d_{x^2-y^2}$ band is relevant at low energies besides electron pockets or whether multi-orbital physics including Ni-3$d_{z^2}$ is instead essential. The first scenario has emerged from density-functional theory plus dynamical mean-field theory (DFT+DMFT) calculations. Comparing the previous DFT+DMFT spectra to recent angular-resolved photoemission spectroscopy (ARPES) experiments, we find excellent agreement for both the Fermi surface and the strongly renormalized quasi-particle bands, supporting the first scenario. Our key findings further suggest that the "waterfalls" observed in ARPES might emerge from the quasi-particle--to--Hubbard-band crossover, and that additional spectral weight close to the $A$-pocket likely originates from the Ni-3$d_{xy}$ orbital. Comment: 8 pages, 4 figures |
| Databáze: | arXiv |
| Externí odkaz: |
|