In: Physical Review B, 2019, vol. 99, no. 8, p. 085131
We study ordered phases with broken translational symmetry in the half-filled three- orbital Hubbard model with antiferromagnetic Hund coupling by means of dynamical mean-field theory (DMFT) and continuous-time quantum Monte Carlo simulations. The stability regions of the antiferro-orbital (AFO), antiferromagnetic (AFM), and charge density wave (CDW) states are determined by measuring the...
|
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...
|
In: Nature Communications, 2018, vol. 9, no. 1, p. 4581
Photo-induced hidden phases are often observed in materials with intertwined orders. Understanding the formation of these non-thermal phases is challenging and requires a resolution of the cooperative interplay between different orders on the ultra-short timescale. In this work, we demonstrate that non-equilibrium photo-excitations can induce a state with spin-orbital orders entirely...
|
In: EPL (Europhysics Letters), 2018, vol. 124, no. 5, p. 57002
Spin-freezing is the origin of bad-metal physics and non-Fermi liquid (non-FL) properties in a broad range of correlated compounds. In a multi-orbital lattice system with Hund coupling, doping of the half-filled Mott insulator results in a highly incoherent metal with frozen magnetic moments. These moments fluctuate and collapse in a crossover region that is characterized by unusual non-Fermi...
|
In: Physical Review B, 2018, vol. 98, no. 23, p. 235120
We study a three-orbital Hubbard model with negative Hund's coupling in infinite dimensions, combining dynamical mean-field theory with continuous time quantum Monte Carlo simulations. This model, which is relevant for the description of alkali- doped fullerides, has previously been shown to exhibit a spontaneous orbital-selective Mott phase in the vicinity of the superconducting phase....
|
In: Physical Review B, 2018, vol. 98, no. 13, p. 134312
We investigate the potential of a quantum Boltzmann equation without momentum conservation for description of strongly correlated electron systems out of equilibrium. In a spirit similar to dynamical mean field theory (DMFT), the momentum conservation of the electron-electron scattering is neglected, which yields a time-dependent occupation function for the equilibrium spectral function, even...
|
In: Physical Review B, 2018, vol. 98, no. 7, p. 075102
We present a systematic study of the nonequilibrium steady states (NESS) in Mott insulators driven by dc or ac electric fields, based on the Floquet dynamical mean- field theory. The results are analyzed using a generalized tunneling formula for the current, which is reminiscent of the Meir-Wingreen formula and provides insights into the relevant physical processes. In the dc case, the...
|
In: Physical Review Materials, 2018, vol. 2, no. 10, p. 105001
Optical conductivity measurements on a BaCoS2 single crystal unveil an unusual linear behavior over a broad spectral range. In the paramagnetic phase above 300 K, the spectrum shows no gap, which contradicts the previously proposed scenario of a charge-transfer Mott insulator. Ab initio dynamical mean field theory calculations including a retarded Hubbard interaction explain the data in terms...
|
In: Physical Review Letters, 2018, vol. 121, no. 5, p. 057405
Using Floquet dynamical mean-field theory, we study the high-harmonic generation in the time-periodic steady states of wide-gap Mott insulators under ac driving. In the strong-field regime, the harmonic intensity exhibits multiple plateaus, whose cutoff energies εcut=U+mE0 scale with the Coulomb interaction U and the maximum field strength E0. In this regime, the created doublons and holons...
|
In: Physical Review B, 2018, vol. 97, no. 24, p. 245129
The nonequilibrium Green's functions (NEGF) approach is a versatile theoretical tool, which allows to describe the electronic structure, spectroscopy, and dynamics of strongly correlated systems. The applicability of this method is, however, limited by its considerable computational cost. Due to the treatment of the full two-time dependence of the NEGF, the underlying equations of motion...
|
