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

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Hauptverfasser: Golez, Denis, Paprotzki, Eva, Werner, Philipp, Eckstein, Martin
Format: Preprint
Veröffentlicht: 2024
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author Golez, Denis
Paprotzki, Eva
Werner, Philipp
Eckstein, Martin
author_facet Golez, Denis
Paprotzki, Eva
Werner, Philipp
Eckstein, Martin
contents 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 $ΔU$ 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.
format Preprint
id arxiv_https___arxiv_org_abs_2409_06314
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Measuring the ultrafast screening of $U$ in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy
Golez, Denis
Paprotzki, Eva
Werner, Philipp
Eckstein, Martin
Strongly Correlated Electrons
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 $ΔU$ 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.
title Measuring the ultrafast screening of $U$ in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2409.06314