Université de Fribourg

Ultrafast coupled charge and spin dynamics in strongly correlated NiO

Gillmeister, Konrad ; Golež, Denis ; Chiang, Cheng-Tien ; Bittner, Nikolaj ; Pavlyukh, Yaroslav ; Berakdar, Jamal ; Werner, Philipp ; Widdra, Wolf

In: Nature Communications, 2020, vol. 11, no. 1, p. 4095

Charge excitations across an electronic band gap play an important role in opto- electronics and light harvesting. In contrast to conventional semiconductors, studies of above-band-gap photoexcitations in strongly correlated materials are still in their infancy. Here we reveal the ultrafast dynamics controlled by Hund’s physics in strongly correlated photoexcited NiO. By combining...

Université de Fribourg

Collective modes in excitonic insulators: Effects of electron-phonon coupling and signatures in the optical response

Murakami, Yuta ; Golež, Denis ; Kaneko, Tatsuya ; Koga, Akihisa ; Millis, Andrew J. ; Werner, Philipp

In: Physical Review B, 2020, vol. 101, no. 19, p. 195118

We consider a two-band spinless model describing an excitonic insulator (EI) on the two-dimensional square lattice with anisotropic hopping parameters and electron-phonon (el-ph) coupling, inspired by the EI candidate Ta2NiSe5. We systematically study the nature of the collective excitations in the ordered phase which originates from the interband Coulomb interaction and the el-ph coupling. ...

Université de Fribourg

Photoenhanced excitonic correlations in a Mott insulator with nonlocal interactions

Bittner, Nikolaj ; Golež, Denis ; Eckstein, Martin ; Werner, Philipp

In: Physical Review B, 2020, vol. 101, no. 8, p. 085127

We investigate the effect of nonlocal interactions on the photodoped Mott insulating state of the two-dimensional Hubbard model using a nonequilibrium generalization of the dynamical cluster approximation. In particular, we compare the situation where the excitonic states are lying within the continuum of doublon-holon excitations to a setup where the excitons appear within the Mott gap. In...

Université de Fribourg

Multiband nonequilibrium G W + EDMFT formalism for correlated insulators

Golež, Denis ; Eckstein, Martin ; Werner, Philipp

In: Physical Review B, 2019, vol. 100, no. 23, p. 235117

We study the dynamics of charge-transfer insulators after a photoexcitation using the three-band Emery model which is relevant for the description of cuprate superconductors. We provide a detailed derivation of the nonequilibrium extension of the multiband GW + EDMFT formalism and the corresponding downfolding procedure. The Peierls construction of the electron-light coupling is generalized...

Université de Fribourg

Entropy-cooled nonequilibrium states of the Hubbard model

Werner, Philipp ; Li, Jianju ; Golež, Denis ; Eckstein, Martin

In: Physical Review B, 2019, vol. 100, no. 15, p. 155130

We show that the recently proposed cooling-by-doping mechanism allows one to efficiently prepare interesting nonequilibrium states of the Hubbard model. Using nonequilibrium dynamical mean field theory and a particle-hole symmetric setup with dipolar excitations to full and empty bands we produce cold photodoped Mott insulating states with a sharp Drude peak in the optical conductivity, a ...

Université de Fribourg

Dynamics of photodoped charge transfer insulators

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

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...

Université de Fribourg

Adiabatic preparation of a correlated symmetry‐broken initial state with the generalized Kadanoff–Baym Ansatz

Tuovinen, Riku ; Golež, Denis ; Schüler, Michael ; Werner, Philipp ; Eckstein, Martin ; Sentef, Michael A.

In: physica status solidi (b), 2019, vol. 256, no. 7, p. 1800469

A fast time propagation method for nonequilibrium Green's functions (NEGF) based on the generalized Kadanoff–Baym Ansatz (GKBA) is applied to a lattice system with a symmetry‐broken equilibrium phase, namely an excitonic insulator (EI). The adiabatic preparation of a correlated symmetry‐broken initial state from a Hartree– Fock wave function within GKBA is assessed by comparing with a...

Université de Fribourg

Comparative study of nonequilibrium insulator-to-metal transitions in electron-phonon systems

Sayyad, Sharareh ; Žitko, Rok ; Strand, Hugo U. R. ; Werner, Philipp ; Golež, Denis

In: Physical Review B, 2019, vol. 99, no. 4, p. 045118

We study equilibrium and nonequilibrium properties of electron-phonon systems described by the Hubbard-Holstein model using dynamical mean-field theory. In equilibrium, we benchmark the results for impurity solvers based on the one-crossing approximation and slave-rotor approximation against non-perturbative numerical renormalization group reference data. We also examine how well the...

Université de Fribourg

Photoinduced enhancement of excitonic order

Murakami, Yuta ; Golež, Denis ; Eckstein, Martin ; Werner, Philipp

In: Physical Review Letters, 2017, vol. 119, no. 24, p. 247601

We study the dynamics of excitonic insulators coupled to phonons using the time- dependent mean-field theory. Without phonon couplings, the linear response is given by the damped amplitude oscillations of the order parameter with a frequency equal to the minimum band gap. A phonon coupling to the interband transfer integral induces two types of long-lived collective oscillations of the...

Université de Fribourg

Ultrafast electronic band gap control in an excitonic insulator

Mor, Selene ; Herzog, Marc ; Golež, Denis ; Werner, Philipp ; Eckstein, Martin ; Katayama, Naoyuki ; Nohara, Minoru ; Takagi, Hide ; Mizokawa, Takashi ; Monney, Claude ; Stähler, Julia

In: Physical Review Letters, 2017, vol. 119, no. 8, p. 086401

We report on the nonequilibrium dynamics of the electronic structure of the layered semiconductor Ta2NiSe5 investigated by time- and angle-resolved photoelectron spectroscopy. We show that below the critical excitation density of FC=0.2 mJ cm−2, the band gap narrows transiently, while it is enhanced above FC. Hartree-Fock calculations reveal that this effect can be explained by the presence...