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arXiv:1309.1612 · New Journal of Physics

Study of resonant inelastic light scattering in Keldysh–Schwinger functional integral formalism

H C Lee

Published Sep 26, 2013• 2 citations
arXivHTMLPDF

Abstract

The scattering cross section of the resonant inelastic light scattering is represented as a correlation function in the Keldysh-Schwinger functional integral formalism. The functional integral approach enables us to compute the cross section in the Feynman diagram perturbation theory where many-body effects can be fully incorporated. This approach is applied to the one G-phonon Raman scattering of graphene, and the result is shown to agree with the one previously obtained by the conventional Fermi golden rule formula. Also, this approach is generalized to the systems in non-equilibrium conditions.

DOI
10.1088/1367-2630/15/9/093039

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The scattering cross section of the resonant inelastic light scattering is represented as a correlation function in the Keldysh-Schwinger functional integral formalism. The functional integral approach enables us to compute the cross section in the Feynman diagram perturbation theory where many-body effects can be fully incorporated. This approach is applied to the one G-phonon Raman scattering of graphene, and the result is shown to agree with the one previously obtained by the conventional Fermi golden rule formula. Also, this approach is generalized to the systems in non-equilibrium conditions.
We propose a theoretical framework which can treat the nonresonant and the resonant inelastic light scattering on an equal footing in the form of correlation function, employing Keldysh–Schwinger functional integral formalism. The interference between the nonresonant and the resonant process can be also incorporated in this framework. This approach is applied to the magnetic Raman scattering of two-dimensional antiferromagnetic insulators. The entire set of the scattering cross-sections are obtained at finite temperature, the result for the resonant part agrees with the one obtained by the conventional Fermi golden rule at zero temperature. The interference contribution is shown to be very sensitive to the scattering geometry and the band structure.
While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schrödinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.
The inelastic Raman scattering of light by hydrogenlike ions has been studied by means of second-order perturbation theory and the relativistic Coulomb Green's-function approach. In particular, we investigate the total and angle-differential Raman cross sections as well as the magnetic sublevel population of the residual (excited) ions. Detailed calculations are performed for the inelastic scattering of photons by neutral hydrogen as well as hydrogenlike xenon and uranium ions, accompanied by the $1{s}_{1/2}\ensuremath{\rightarrow}2{s}_{1/2}$, $1{s}_{1/2}\ensuremath{\rightarrow}2{p}_{1/2}$, and $1{s}_{1/2}\ensuremath{\rightarrow}2{p}_{3/2}$ transitions. Moreover, we discuss how the Raman scattering is affected by relativistic and resonance effects as well as the higher-multipole contributions to the electron-photon interaction.
While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response function (Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schrödinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.
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.
Abstract While new light sources allow for unprecedented resolution in experiments with X-rays, a theoretical understanding of the scattering cross-section is lacking. In the particular case of strongly correlated electron systems, numerical techniques are quite limited, since conventional approaches rely on calculating a response functon(Kramers-Heisenberg formula) that is obtained from a perturbative analysis of scattering processes in the frequency domain. This requires a knowledge of a full set of eigenstates in order to account for all intermediate processes away from equilibrium, limiting the applicability to small tractable systems. In this work, we present an alternative paradigm, recasting the problem in the time domain and explicitly solving the time-dependent Schr\"odinger equation without the limitations of perturbation theory: a faithful simulation of the scattering processes taking place in actual experiments, including photons and core electrons. We show how this approach can yield the full time and momentum resolved Resonant Inelastic X-Ray Scattering (RIXS) spectrum of strongly interacting many-body systems. We demonstrate the formalism with an application to Mott insulating Hubbard chains using the time-dependent density matrix renormalization group method, which does not require a priory knowledge of the eigenstates and can solve very large systems with dozens of orbitals. This approach can readily be applied to systems out of equilibrium without modification and generalized to other spectroscopies.