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Waterfalls: umbilical cords at the birth of Hubbard bands

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Waterfalls are high-energy anomalies in an angle-resolved photoemission spectroscopy (ARPES) spectrum characterized by a steep drop of momentum-energy dispersion and a significantly smeared spectrum. These anomalies have been frequently observed in cuprates [1-3], and more recently in superconducting nickelates [4,5], with the onset of the waterfall occurring at around 100-200 meV and extending up to approximately ~1eV.

Here we argue that waterfalls naturally emerge within the one-band Hubbard model when a Hubbard band develops and separates from the quasiparticle band. We demonstrate this by treating the electronic correlations on the level of dynamical mean-field theory (DMFT) [6], and further exclude that non-local correlations are in play by performing dynamical vertex approximation (DGA) [7] calculations. We also calculate the second derivatives of the momentum distributions curves (MDCs), which highlight the waterfall-like structures even more clearly than the bare spectra.

Finally, we compare our results for the Hubbard model with the ab initio determined parameters with the measured spectra in cuprates and nickelates for various levels of hole doping. Our findings show a good agreement between the theoretical predictions and experimental observations.

[1] B. P. Xie et al., PRL 98 , 147001 (2007). [2] T. Valla et al., PRL 98 , 167003 (2007). [3] W. Meevasana et al., PRB 75 , 174506 (2007). [4] W. Sun et al., arXiv:2403.07344 (2024). [5] X. Ding et al., arXiv:2403.07448 (2024). [6] A. Georges et al., RMP 68 , 13 (1996). [7] G. Rohringer et al., RMP 90 , 25003 (2018).

This talk is part of the Lennard-Jones Centre series.

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