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arXiv · 2409.06314

Measuring the ultrafast screening of $U$ in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy

Denis Golez·Eva Paprotzki·Philipp Werner·Martin Eckstein
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Abstract

Recent seminal experiments have utilized time-resolved X-ray absorption spectroscopy (XAS) to investigate the ultrafast photo-induced renormalization of the electron interaction (''Hubbard $U$'') in Mott and charge transfer insulators. In this paper, we analyze the change of interactions due to dynamical screening as it is encoded in the XAS signal, using the non-equilibrium GW+EDMFT formalism. Our study shows that XAS is well-suited for measuring this change, but two aspects should be kept in mind if the screening processes are not substantially faster than the valence electron dynamics: (i) Screening in a photo-excited system can affect both the position and the lineshape of the absorption lines. (ii) In general, the effect cannot be captured by the modification of a single interaction parameter. Specifically, an estimate for $\Delta U$ extracted from the shift of the XAS lines does not necessarily describe the related shift of the the upper Hubbard band. We clarify these aspects using a minimal cluster model and the three-band Emery model for a charge transfer insulator.

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Denis Golez, Eva Paprotzki, Philipp Werner, Martin Eckstein. 2024-09-10. Measuring the ultrafast screening of $U$ in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy. https://doi.org/10.1103/physrevb.111.045147

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