Searcharxiv⌕ Search

arXiv subjects

Philipp Werner

Publications and source records attributed to Philipp Werner.

At least 109 records · Page 6Linked to original sources

Non-equilibrium evolution of the optical conductivity of the weakly interacting Hubbard model: Drude response and $π$-ton type vertex corrections

The optical conductivity contains information about energy absorption and the underlying physical processes. In finite-dimensional systems, vertex corrections to the bare bubble need to be considered, which is a computationally challenging task. Recent numerical studies showed that in the weak coupling limit, near an ordering instability with wave vector $π$, $π$-tons (or Maki-Thompson diagrams) yield the most relevant vertex corrections. This provides a route for including vertex corrections into, for example, dynamical mean field theory estimates of the optical conductivity. By implementing calculations on the Kadanoff-Baym contour, we reveal the characteristic spectral signatures of the $π$-tons and their evolution under non-equilibrium conditions. We consider interaction quenches of the weakly-correlated Hubbard model near the antiferromagnetic phase boundary, and analyze the evolution of the Drude and $π$-ton features. While the bubble contribution to the optical conductivity is found to thermalize rapidly, after some oscillations with frequencies related to the local spectral function, the $π$-ton contribution exhibits a slower evolution. We link this observation to the prethermalization phenomenon which has been previously studied in weakly interacting, quenched Hubbard models.

cond-mat.str-el↗

Unveiling the underlying interactions in Ta2NiSe5 from photo-induced lifetime change

We present a generic procedure for quantifying the interplay of electronic and lattice degrees of freedom in photo-doped insulators through a comparative analysis of theoretical many-body simulations and time- and angle-resolved photoemission spectroscopy (TR-ARPES) of the transient response of the candidate excitonic insulator Ta2NiSe5. Our analysis demonstrates that the electron-electron interactions dominate the electron-phonon ones. In particular, a detailed analysis of the TRARPES spectrum enables a clear separation of the dominant broadening (electronic lifetime) effects from the much smaller bandgap renormalization. Theoretical calculations show that the observed strong spectral broadening arises from the electronic scattering of the photo-excited particle-hole pairs and cannot be accounted for in a model in which electron-phonon interactions are dominant. We demonstrate that the magnitude of the weaker subdominant bandgap renormalization sensitively depends on the distance from the semiconductor/semimetal transition in the high-temperature state, which could explain apparent contradictions between various TR-ARPES experiments. The analysis presented here indicates that electron-electron interactions play a vital role (although not necessarily the sole one) in stabilizing the insulating state.

cond-mat.str-el↗

Memory truncated Kadanoff-Baym equations

The Keldysh formalism for nonequilibrium Green's functions is a powerful theoretical framework for the description of the electronic structure, spectroscopy, and dynamics of strongly correlated systems. However, the underlying Kadanoff-Baym equations (KBE) for the two-time Keldysh Green's functions involve a memory kernel which results in a high computational cost for long simulation times $t_\text{max}$, with a cubic scaling of the computation time with $t_\text{max}$. Truncation of the memory kernel can reduce the computational cost to linear scaling with $t_\text{max}$, but the required memory times will depend on the model and the diagrammatic approximation to the self-energy. We explain how a truncation of the memory kernel can be incorporated into the time-propagation algorithm to solve the KBE, and investigate the systematic truncation of the memory kernel for the Hubbard model in different parameter regimes, and for different diagrammatic approximations. The truncation is easier to control within dynamical mean-field solutions, where it is applied to a momentum-independent self-energy. Here, simulation times up to two orders of magnitude longer are accessible both in the weak and strong coupling regime, allowing for a study of long-time phenomena such as the crossover between pre-thermalization and thermalization dynamics.

cond-mat.str-el↗

Exploring nonequilibrium phases of photo-doped Mott insulators with Generalized Gibbs ensembles

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 long-lived photo-doped states in Mott insulators. This framework enables systematic studies of photo-induced phases based on equilibrium methods, as demonstrated here for the one-dimensional extended Hubbard model. We determine the nonequilibrium phase diagram, which features $η$-pairing and charge density wave phases in a wide doping range, and reveal physical properties of these phases. We show that the peculiar kinematics of photo-doped carriers, and the interaction between them, play an essential role in the formation of the non-thermal phases, and we clarify the differences between photo-doped Mott insulators, chemically-doped Mott insulators and photo-doped semiconductors. Our results demonstrate a new path for the systematic exploration of nonequilibrium strongly correlated systems and show that photo-doped Mott insulators host different phases than conventional semiconductors.

cond-mat.str-el↗

Causal versus local $GW$+EDMFT scheme and application to the triangular-lattice extended Hubbard model

Using the triangular-lattice extended Hubbard model as a test system, we compare $GW$+EDMFT results for the recently proposed self-consistency scheme with causal auxiliary fields to those obtained from the standard implementation which identifies the impurity Green's functions with the corresponding local lattice Green's functions. Both for short-ranged and long-ranged interactions we find similar results, but the causal scheme yields slightly stronger correlation effects at half-filling. We use the two implementations of $GW$+EDMFT to compute spectral functions and dynamically screened interactions in the parameter regime relevant for 1$T$-TaS$_2$. We address the question whether or not the sample used in a recent photoemission study [Phys. Rev. Lett. 120, 166401 (2018)] was half-filled or hole-doped.

cond-mat.str-el↗

Pairing enhanced by local orbital fluctuations in a model for monolayer FeSe

The pairing mechanism in different classes of correlated materials, including iron based superconductors, is still under debate. For FeSe monolayers, uniform nematic fluctuations have been shown in a lattice Monte Carlo study to play a potentially important role. Here, using dynamical mean field theory calculations for the same model system, we obtain a similar phase diagram and provide an alternative interpretation of the superconductivity in terms of local orbital fluctuations and phase rigidity. Our study clarifies the relation between the superconducting order parameter, superfluid stiffness and orbital fluctuations, and provides a link between the spin/orbital freezing theory of unconventional superconductivity and theoretical works considering the role of nematic fluctuations.

cond-mat.supr-con↗

A Diffuse Interface Model for Cell Blebbing Including Membrane-Cortex Coupling with Linker Dynamics

The aim of this paper is to develop suitable models for the phenomenon of cell blebbing, which allow for computational predictions of mechanical effects including the crucial interaction of the cell membrane and the actin cortex. For this sake we resort to a two phase-field model that uses diffuse descriptions of both the membrane and the cortex, which in particular allows for a suitable description of the interaction via linker protein densities. Besides the detailed modelling we discuss some energetic aspects of the models and present a numerical scheme, which allows to carry out several computational studies. In those we demonstrate that several effects found in experiments can be reproduced, in particular bleb formation by cortex rupture, which was not possible by previous models without the linker dynamics.

q-bio.CB↗

Imaging the coherent propagation of collective modes in the excitonic insulator candidate Ta$_2$NiSe$_5$ at room temperature

Excitonic insulators host a condensate of electron-hole pairs at equilibrium, giving rise to collective many-body effects. Although several materials have emerged as excitonic insulator candidates, evidence of long-range coherence is lacking and the origin of the ordered phase in these systems remains controversial. Here, using ultrafast pump-probe microscopy, we investigate the possible excitonic insulator Ta$_2$NiSe$_5$. Below 328 K, we observe the anomalous micrometer-scale propagation of coherent modes at velocities of the order of $\sim10^5$ m/s, which we attribute to the hybridization between phonon modes and the phase mode of the condensate. We develop a theoretical framework to support this explanation and propose that electronic interactions provide a significant contribution to the ordered phase in Ta$_2$NiSe$_5$. These results allow us to understand how the condensate's collective modes transport energy and interact with other degrees of freedom. Our study provides a unique paradigm for the investigation and manipulation of these properties in strongly correlated materials.

cond-mat.str-el↗

Light-induced hidden odd-frequency order in a model for A$_3$C$_{60}$

Laser driving in systems with competing or coupled electronic orders can lead to the enhancement of orders, or even to the appearance of hidden phases without an equilibrium analogue. Here we consider a model for A$_3$C$_{60}$ which exhibits a unique interplay between conventional and odd-frequency (or composite) orders. In particular, we show that photo-doping of the antiferromagnetic Mott insulating phase, as realized in Cs$_3$C$_{60}$, results in a paramagnetic gapped state with broken orbital symmetry. This hidden phase, which does not exist under equilibrium conditions, can be interpreted as an odd-frequency orbital-ordered state, and is conceptually related to the equilibrium Jahn-Teller metal in more weakly correlated compounds. Our study demonstrates the appearance of pure odd-frequency order via the nonthermal melting of magnetic order, and provides an interesting example of nonequilibrium control of electronic orders in a multi-orbital system.

cond-mat.str-el↗

Photo-induced Dirac cone flattening in BaNiS$_2$

Using a real-time implementation of the self-consistent $GW$ method, we theoretically investigate the photo-induced changes in the electronic structure of the quasi two-dimensional semi-metal BaNiS$_2$. This material features four Dirac cones in the unit cell and our simulation of the time- and momentum-resolved nonequilibrium spectral function reveals a flattening of the Dirac bands after a photo-doping pulse with a 1.5 eV laser. The simulation results are consistent with the recently reported experimental data on photo-doped BaNiS$_2$ and ZrSiSe, another Dirac semi-metal. A detailed analysis of the numerical data allows us to attribute the nonequilibrium modifications of the Dirac bands to (i) an increased effective temperature after the photo-excitation, which affects the screening properties of the system, and (ii) to nontrivial band shifts in the photo-doped state, which are mainly induced by the Fock term.

cond-mat.str-el↗

Fully {\it ab-initio} electronic structure of Ca$_{2}$RuO$_{4}$

The reliable {\it ab-initio} description of strongly correlated materials is a long-sought capability in condensed matter physics. The $GW$+EDMFT method is a promising scheme, which provides a self-consistent description of correlations and screening, and does not require user-provided parameters. In order to test the reliability of this approach we apply it to the experimentally well characterized perovskite compound Ca$_2$RuO$_4$, in which a temperature-dependent structural deformation drives a paramagnetic metal-insulator transition. Our results demonstrate that the nonlocal polarization and self-energy components introduced by $GW$ are essential for setting the correct balance between interactions and bandwidths, and that the $GW$+EDMFT scheme produces remarkably accurate predictions of the electronic properties of this strongly correlated material.

cond-mat.str-el↗

Nonequilibrium RIXS study of an electron-phonon model

We use the nonequilibrium dynamical mean field theory formalism to compute the equilibrium and nonequilibrium resonant inelastic X-ray scattering (RIXS) signal of a strongly interacting fermionic lattice model with a coupling of dispersionless phonons to the total charge on a given site. In the atomic limit, this model produces phonon subbands in the spectral function, but not in the RIXS signal. Electron hopping processes however result in phonon-related modifications of the charge excitation peak. We discuss the equilibrium RIXS spectra and the characteristic features of nonequilibrium states induced by photo-doping and by the application of a static electric field. The latter produces features related to Wannier-Stark states, which are dressed with phonon sidebands. Thanks to the effect of field-induced localization, the phonon features can be clearly resolved even in systems with weak electron-phonon coupling.

cond-mat.str-el↗

Non-linear optical processes in cavity light-matter systems

We study non-linear optical effects in electron systems with and without inversion symmetry in a Fabry-Perot cavity. General photon up- and down-conversion processes are modeled by the coupling of a noninteracting lattice model to two modes of the quantized light field. Effective descriptions retaining the most relevant states are devised via downfolding and a generalized Householder transformation. These models are used to relate the transition amplitudes for even order photon-conversion processes to the shift vector, a topological quantity describing the difference in polarization between the valence and conduction band in non-centrosymmetric systems. We also demonstrate that the truncated models, despite their small Hilbert space, capture correlation effects induced by the photons in the electronic subsystem.

cond-mat.str-el↗

Unconventional Pairing from Local Orbital Fluctuations in Strongly Correlated A$_3$C$_{60}$

The pairing mechanism in A$_3$C$_{60}$ is investigated by studying the properties of a three-orbital Hubbard model with antiferromagnetic Hund coupling in the normal and superconducting phase. Local orbital fluctuations are shown to be substantially enhanced in the superconducting state, with a fluctuation energy scale that matches the low-energy peak in the spectral weight of the order parameter. Our results demonstrate that local orbital fluctuations provide the pairing glue in strongly correlated fulleride superconductors and support the spin/orbital freezing theory of unconventional superconductivity. They are also consistent with the experimentally observed universal relation between the gap energy and local susceptibility in a broad range of unconventional superconductors.

cond-mat.str-el↗

Mechanism for Synchronization of Charge Oscillations in Dimer Lattices

We discuss the mechanism and the conditions for the appearance of synchronized charge oscillations which have been observed experimentally and theoretically after strong photoexcitation of dimerized systems. In the Hubbard model with on-site repulsion, the Bloch equations for a wave-number-dependent pseudospin -- whose components describe the charge-density difference, current density, and bond density between the two sublattices -- involve an alternatingly tilted pseudomagnetic field, which assists the synchronization of pseudospins with different wave numbers, irrespective of the initial condition. This fact is numerically confirmed by the dynamics in finite lattices based on the exact diagonalization method. In the presence of nearest-neighbor repulsion, however, the synchronization can be hindered by excitons. Therefore, the excitation of a sufficiently large density of free electron-hole pairs, but low density of excitons, is needed to achieve synchronization.

cond-mat.str-el↗

High-harmonic generation in one-dimensional Mott insulator

We study high-harmonic generation (HHG) in the one-dimensional Hubbard model in order to understand its relation to elementary excitations as well as the similarities and differences to semiconductors. The simulations are based on the infinite time-evolving block decimation (iTEBD) method and exact diagonalization. We clarify that the HHG originates from the doublon-holon recombination, and the scaling of the cutoff frequency is consistent with a linear dependence on the external field. We demonstrate that the subcycle features of the HHG can be reasonably described by a phenomenological three step model for a doublon-holon pair. We argue that the HHG in the one-dimensional Mott insulator is closely related to the dispersion of the doublon-holon pair with respect to its relative momentum, which is not necessarily captured by the single-particle spectrum due to the many-body nature of the elementary excitations. For the comparison to semiconductors, we introduce effective models obtained from the Schrieffer-Wolff transformation, i.e. a strong-coupling expansion, which allows us to disentangle the different processes involved in the Hubbard model: intraband dynamics of doublons and holons, interband dipole excitations, and spin exchanges. These demonstrate the formal similarity of the Mott system to the semiconductor models in the dipole gauge, and reveal that the spin dynamics, which does not directly affect the charge dynamics, can reduce the HHG intensity. We also show that the long-range component of the intraband dipole moment has a substantial effect on the HHG intensity, while the correlated hopping terms for the doublons and holons essentially determine the shape of the HHG spectrum. A new numerical method to evaluate single-particle spectra within the iTEBD method is also introduced.

cond-mat.str-el↗

Simulation of time-dependent resonant inelastic X-ray scattering using non-equilibrium dynamical mean-field theory

We develop a framework to evaluate the time-dependent resonant inelastic X-ray scattering (RIXS) signal with the use of non-equilibrium dynamical mean field theory simulations. The approach is based on the solution of a time-dependent impurity model which explicitly incorporates the probe pulse. It avoids the need to compute four-point correlation functions, and can in principle be combined with different impurity solvers. This opens a path to study time-resolved RIXS processes in multi-orbital systems. The approach is exemplified with a study of the RIXS signal of a melting Mott antiferromagnet.

cond-mat.str-el↗

Nonequilibrium-DMFT based RIXS investigation of the two-orbital Hubbard model

Resonant inelastic X-ray scattering (RIXS) detects various types of high- and low-energy elementary excitations in correlated solids, and this tool will play an increasingly important role in investigations of time-dependent phenomena in photo-excited systems. While theoretical frameworks for the computation of equilibrium RIXS spectra are well established, the development of appropriate methods for nonequilibrium simulations are an active research field. Here, we apply a recently developed nonequilibrium dynamical mean field theory (DMFT) based approach to compute the RIXS response of photo-excited two-orbital Mott insulators. The results demonstrate the feasibility of multi-orbital nonequilibrium RIXS calculations and the sensitivity of the quasi-elastic fluorescence-like features and d-d excitation peaks on the nonequilibrium population of the Hubbard bands.

cond-mat.str-el↗