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arXiv · 1808.02264

Dynamics of photo-doped charge transfer insulators

Denis Golež·Lewin Boehnke·Martin Eckstein·Philipp Werner
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Abstract

We study the dynamics of charge-transfer insulators after photo-excitation using the three-band Emery model and a nonequilibrium extension of Hartree-Fock+EDMFT and GW+EDMFT. While the equilibrium properties are accurately reproduced by the Hartree-Fock treatment of the full $p$ bands, dynamical correlations are essential for a proper description of the photo-doped state. The insertion of doublons and holons leads to a renormalization of the charge transfer gap %and $p$ bands and to a substantial broadening of the bands. We calculate the time-resolved photoemission spectrum and optical conductivity and find qualitative agreement with experiments. Our formalism enables the realistic description of nonequilibrium phenomena in a large class of charge-transfer insulators, and provides a tool to explore the optical manipulation of interaction and correlation effects.

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Denis Golež, Lewin Boehnke, Martin Eckstein, Philipp Werner. 2018-08-07. Dynamics of photo-doped charge transfer insulators. https://doi.org/10.1103/physrevb.100.041111

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