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Ultrafast Bandgap Photonics

Nonresonant pump/probe electronic Raman scattering within nonequilibrium dynamical mean-field theory

James K. Freericks, O. P. Matveev, Andrij M. Shvaika, Thomas Devereaux

Published May 8, 2018• 3 citations
Publisher

Abstract

We develop the theory for nonresonant Raman scattering of strongly correlated electrons in time-resolved pump- probe experiments. The electrons are initially pumped with an intense pulse of light and then a probe pulse measures the Raman response function after an adjustable time delay. We describe how the width of the probe pulse and the strength of the electron correlations affect the Raman cross section. The theory is developed for the case of B1g symmetry, where incident and scattered light are polarized perpendicular to each other. We illustrate the exact solution with the Falicov-Kimball model, which is solved via nonequilibrium dynamical mean-field theory.

DOI
10.1117/12.2305103

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We develop the theory for nonresonant Raman scattering of strongly correlated electrons in time-resolved pump- probe experiments. The electrons are initially pumped with an intense pulse of light and then a probe pulse measures the Raman response function after an adjustable time delay. We describe how the width of the probe pulse and the strength of the electron correlations affect the Raman cross section. The theory is developed for the case of B1g symmetry, where incident and scattered light are polarized perpendicular to each other. We illustrate the exact solution with the Falicov-Kimball model, which is solved via nonequilibrium dynamical mean-field theory.
We solve for the electronic Raman scattering response functions on an infinite-dimensional hypercubic lattice employing dynamical mean-field theory. This contribution extends previous work on the nonresonant response to include the mixed and resonant contributions. We focus our attention on the infinite-dimensional spinless Falicov-Kimball model, where the problem can be solved exactly, and the system can be tuned to go through a Mott-Hubbard-like metal-insulator transition. Resonant effects vary in different scattering geometries, corresponding to the symmetries of the charge excitations scattered by the light. We do find that the Raman response is large near the double resonance, where the transfered frequency is close to the incident photon frequency. We also find a joint resonance of both the charge-transfer peak and the low-energy peak when the incident photon frequency is on the order of the interaction strength. In general, the resonance effects can create order of magnitude (or more) enhancements of features in the nonresonant response, especially when the incident photon frequency is somewhat larger than the frequency of the nonresonant feature. Finally, we find that the resonant effects also exhibit isosbestic behavior, even in the A1g{A}_{1\mathrm{g}}A1g​ and B2g{B}_{2\mathrm{g}}B2g​ sectors, and it is most prominent when the incident photon frequency is on the order of the interaction energy.
We employ functional derivatives to calculate spectroscopy in nonequilibrium many-body systems. This allows for all vertex correction effects to be properly incorporated. We focus on electronic Raman scattering. As a concrete example, we present numerical results for the nonresonant contribution to the time-resolved electronic Raman scattering cross section in the A 1 g symmetry channel solved with dynamical mean-field theory. To do this, we add a small field to the Hamiltonian and take the functional derivative of the “Raman current” operator with respect to this field, which results in an exact expression for the greater Green's function that determines the Raman scattering cross section. This approach avoids the need to set up and solve Bethe-Salpeter equations, which are notoriously difficult to work with in nonequilibrium. We also work out formal expressions for the optical conductivity in the Appendix.
The real-time dynamics of interacting electrons out of equilibrium contains detailed microscopic information about electronically correlated materials, which can be read out with time-resolved optical spectroscopy. The reflectivity that is typically measured in pump-probe experiments is related to the nonequilibrium optical conductivity. We show how to express this quantity in terms of real-time Green's functions using dynamical mean-field theory. As an application we study the electrical response of the Falicov-Kimball model during the ultrafast buildup of the gapped phase at large interaction.
Raman spectroscopy uses light scattering to extract information on low-energy excitations of solids. The Raman process is described by diagrams which are fourth order in the light-matter interaction and in particular the resonant contribution, which involves four different space-time arguments, is difficult to evaluate. If one instead simulates explicitly the incoming (classical) light pulse, the Raman signal is given by the outgoing photon flux and can be determined from a two-point correlation function. Such a formalism can be used to compute the time-resolved Raman spectrum of nonequilibrium systems, as well as nonlinear signals which are higher order in the incoming field, such as hyper-Raman scattering. Here we explain how to implement this time-dependent formalism within the dynamical mean field theory framework. The method is illustrated with applications to the Holstein-Hubbard model in the strong electron-phonon coupling regime. We demonstrate hyper-Raman scattering in measurements with strong probe fields and frequency mixing signals in the presence of a pump field and simulate the evolution of Stokes and anti-Stokes features after photoexcitations of metallic and Mott insulating systems.
Ultrafast characterization and control of many-body interactions and elementary excitations are critical to understanding and manipulating emergent phenomena in strongly correlated systems. In particular, spin interaction plays an important role in unconventional superconductivity, but efficient tools for probing spin dynamics, especially out of equilibrium, are still lacking. To address this question, we develop a theory for nonresonant time-resolved Raman scattering, which can be a generic and powerful tool for nonequilibrium studies. We also use exact diagonalization to simulate the pump-probe dynamics of correlated electrons in the square-lattice single-band Hubbard model. Different ultrafast processes are shown to exist in the time-resolved Raman spectra and dominate under different pump conditions. For high-frequency and off-resonance pumps, we show that the Floquet theory works well in capturing the softening of bimagnon excitation. By comparing the Stokes and anti-Stokes spectra, we also show that effective heating dominates at small pump fluences, while a coherent many-body effect starts to take over at larger pump amplitudes and frequencies on resonance to the Mott gap. Time-resolved Raman scattering thereby provides the platform to explore different ultrafast processes and design material properties out of equilibrium.
We describe the temporal evolution of the time-resolved photoemission response of the spinless Falicov-Kimball model driven out of equilibrium by strong applied fields. The model is one of the few possessing a metal-insulator transition and admitting an exact solution in the time domain. The nonequilibrium dynamics, evaluated using an extension of dynamical mean-field theory, show how the driven system differs from two common viewpoints---a quasiequilibrium system at an elevated effective temperature (the ``hot'' electron model) or a rapid interaction quench (``melting'' of the Mott gap)---due to the rearrangement of electronic states and redistribution of spectral weight. The results demonstrate the inherent trade-off between energy and time resolution accompanying the finite width probe pulses, characteristic of those employed in pump-probe time-domain experiments, which can be used to focus attention on different aspects of the dynamics near the transition.