Dynamics of photodoped charge transfer insulators

Golež, Denis; Boehnke, Lewin; Eckstein, Martin; Werner, Philipp

doi:10.1103/PhysRevB.100.041111

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Journal article

Dynamics of photodoped charge transfer insulators

Golež, Denis Department of Physics, University of Fribourg, Switzerland - Center for Computational Quantum Physics, Flatiron Institute, New York,, USA
Boehnke, Lewin Department of Physics, University of Fribourg, Switzerland
Eckstein, Martin Department of Physics, University of Erlangen-Nürnberg, Erlangen, Germany
Werner, Philipp Department of Physics, University of Fribourg, Switzerland

17.07.2019

Published in:

Physical Review B. - 2019, vol. 100, no. 4, p. 041111

English We study the dynamics of charge transfer insulators after photoexcitation using the three-band Emery model and a nonequilibrium extension of Hartree-Fock + EDMFT (extended dynamical mean field theory) and GW + EDMFT. While the equilibrium properties are accurately reproduced by the Hartree-Fock treatment of the ligand bands, dynamical correlations are essential for a proper description of the photodoped state. Photodoping leads to a renormalization of the charge transfer gap and to a substantial broadening of the bands. We calculate thetime-resolved photoemission spectrum and optical conductivity and find qualitative agreement with experiments. Our formalism enables the realistic description of nonequilibrium phenomena in materials with ligand bands. It provides a tool to explore the optical manipulation of interaction and correlation effects, including insulator-metal and magnetic transitions.

Faculty

Faculté des sciences et de médecine

Department

Département de Physique

Language