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arXiv · 2204.06762

Local interpretation of time-resolved X-ray absorption in Mott insulators: Insights from nonequilibrium dynamical mean-field theory

Philipp Werner·Denis Golez·Martin Eckstein
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Abstract

We present a formalism based on nonequilibrium dynamical mean field theory (DMFT) which allows to compute the time-resolved X-ray absorption spectrum (XAS) of photo-excited solids. By applying this formalism to the photo-doped half-filled and quarter-filled two-orbital Hubbard models in the Mott insulating regime we clarify how the time-resolved XAS signal reflects the nonequilibrium population of different local states. Apart from the missing broadening associated with continuum excitations, the atomic XAS spectrum computed with the nonthermal state populations provides a good approximation to the full nonequilibrium DMFT result. This suggest a route to combine the accurate DMFT description of nonequilibrum states of solids with cluster calculations of the XAS signal.

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Philipp Werner, Denis Golez, Martin Eckstein. 2022-04-14. Local interpretation of time-resolved X-ray absorption in Mott insulators: Insights from nonequilibrium dynamical mean-field theory. https://doi.org/10.1103/physrevb.106.165106

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