Golez D, Boehnke L, Eckstein M, Werner P (2019)
Publication Type: Journal article
Publication year: 2019
Book Volume: 100
Journal Issue: 4
DOI: 10.1103/PhysRevB.100.041111
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 the time-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.
APA:
Golez, D., Boehnke, L., Eckstein, M., & Werner, P. (2019). Dynamics of photodoped charge transfer insulators. Physical Review B, 100(4). https://dx.doi.org/10.1103/PhysRevB.100.041111
MLA:
Golez, Denis, et al. "Dynamics of photodoped charge transfer insulators." Physical Review B 100.4 (2019).
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