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We use a nonequilibrium implementation of extended dynamical mean field theory to study the effect of dynamical screening in photo-excited Mott insulators. The insertion of doublons and holes adds low-energy screening modes and leads to a…
First-principles descriptions of correlated quantum materials require a simultaneous treatment of strong local many-body effects and nonlocal dynamical screening. We present an efficient fully self-consistent implementation of $GW$+EDMFT…
We extend the nonequilibrium dynamical mean field (DMFT) formalism to inhomogeneous systems by adapting the "real-space" DMFT method to Keldysh Green's functions. Solving the coupled impurity problems using strong-coupling perturbation…
In this work, we explore the possibility of emergent nonequilibrium steady states arising from the electric-field-driven Mott insulator via the Keldysh-Floquet dynamical mean field theory (DMFT), which can determine the fully-interacting,…
By means of $ab~initio$ computation schemes, we examine the low-energy electronic structure of monolayer TaS$_2$ in its low-temperature commensurate charge-density-wave structure. We estimate and take into account both local and non-local…
Nonequilibrium dynamics in correlated materials has attracted attention due to the possibility of characterizing, tuning, and creating complex ordered states. To understand the photoinduced microscopic dynamics, especially the linkage under…
Using a nonequilibrium implementation of the extended dynamical mean field theory (EDMFT) we simulate the relaxation after photo excitation in a strongly correlated electron system with antiferromagnetic spin interactions. We consider the…
Exciton dissociation via the excitonic Mott transition (EMT) governs the high-density optical response of semiconductors and sets fundamental limits for optoelectronic devices. The EMT is conventionally linked to the onset of population…
Dynamically driven interacting quantum many-body systems have the potential to exhibit properties that defy the laws of equilibrium statistical mechanics. A widely studied model is the impulsively driven antiferromagnetic Mott insulator,…
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 schemes, it is…
Theoretical studies of semiconductors and band insulators are usually based on variants of the $GW$ method without full self-consistency, like single-shot $G^0W^0$ or quasiparticle self-consistent $GW$. Fully self-consistent $GW$ provides a…
The study of nonequilibrium phenomena in interacting lattice systems can provide new perspectives on correlation effects, and information on metastable states of matter. Mott insulators are a promising class of systems for nonequilibrium…
We describe a recent implementation of the combined GW and dynamical mean field (DMFT) method "GW+DMFT" for the two-dimensional Hubbard model with on-site and nearest-neighbor repulsion. We clarify the relation of the GW+DMFT scheme to…
We study the dynamics of charge-transfer insulators after a photo-excitation using the three-band Emery model which is relevant for the description of cuprate superconductors. We provide a detailed derivation of the nonequilibrium extension…
Ultrafast irradiation of correlated electronic systems triggers complex dynamics involving quasi-particle excitations, doublons, charge carriers, and spin fluctuations. To describe these effects, we develop an efficient non-equilibrium…
Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of…
We use inhomogeneous nonequilibrium dynamical mean-field theory to investigate the spreading of photo-excited carriers in Mott insulating heterostructures with strong internal fields. Antiferromagnetic correlations are found to affect the…
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…
Photodoped states are widely observed in laser-excited Mott insulators, in which charge excitations are quickly created and can exist beyond the duration of the external driving. Despite the fruitful experimental explorations, theoretical…
Photo-excited strongly correlated systems can exhibit intriguing non-thermal phases, but the theoretical investigation of them poses significant challenges. In this work, we introduce a generalized Gibbs ensemble type description for…