In: Physical Review B, 2019, vol. 100, no. 4, p. 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...
|
In: EPL (Europhysics Letters), 2018, vol. 122, no. 5, p. 57001
|
In: Physical Review Materials, 2017, vol. 1, no. 4, p. 043803
We discuss a parameter-free and computationally efficient ab initio simulation approach for moderately and strongly correlated materials, the multitier self-consistent GW+EDMFT method. This scheme treats different degrees of freedom, such as high- energy and low-energy bands, or local and nonlocal interactions, within appropriate levels of approximation, and provides a fully self-consistent...
|
In: Physical Review Letters, 2017, vol. 118, no. 24, p. 246402
We study the dynamics of screening in photodoped Mott insulators with long-ranged interactions using a nonequilibrium implementation of the GW plus extended dynamical mean-field theory formalism. Our study demonstrates that the complex interplay of the injected carriers with bosonic degrees of freedom (charge fluctuations) can result in long-lived transient states with properties that are...
|
In: Physical Review B, 2017, vol. 95, no. 24, p. 245130
In electronic systems with long-range Coulomb interaction, the nonlocal Fock- exchange term has a band-widening effect. While this effect is included in combined many-body perturbation theory and dynamical mean field theory (DMFT) schemes, it is not taken into account in standard extended DMFT (EDMFT) calculations. Here, we include this instantaneous term in both approaches and investigate its...
|
In: Physical Review B, 2016, vol. 94, no. 20, p. 201106
The cubic perovskite SrVO3 is generally considered to be a prototype strongly correlated metal with a characteristic three-peak structure of the d-electron spectral function, featuring a renormalized quasiparticle band in between pronounced Hubbard sidebands. Here we show that this interpretation, which has been supported by numerous “ab initio” simulations, has to be reconsidered. Using...
|
