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arXiv:1403.5604

Nonequilibrium sum rules for the Holstein model

James K. Freericks, Khadijeh Najafi, Alexander F. Kemper, Thomas Devereaux

Published Mar 22, 2014• 0 citations
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Abstract

We derive frequency moment sum rules for the retarded electronic Green's function and self-energy of the Holstein model for both equilibrium and nonequilibrium cases. We also derive sum rules for the phonon propagator in equilibrium and nonequilibrium. These sum rules allow one to benchmark nonequilibrium calculations and help with interpreting the behavior of electrons driven out of equilibrium by an applied electric field. We exactly evaluate the sum rules when the system is in the atomic limit. We also discuss the application of these sum rules to pump/probe experiments like time-resolved angle-resolved photoemission spectroscopy.

DOI
10.48550/arxiv.1403.5604

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Nonequilibrium sum rules for the Holstein model

Freericks, J. K. [Georgetown Univ., Washington, DC (United States)]; Najafi, Khadijeh [Georgetown Univ., Washington, DC (United States)]; Kemper, A. F. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)]; Devereaux, T. P. [SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., CA (United States). Geballe Lab. for Advanced Materials]

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We derive frequency moment sum rules for the retarded electronic Green's function and self-energy of the Holstein model for both equilibrium and nonequilibrium cases. We also derive sum rules for the phonon propagator in equilibrium and nonequilibrium. These sum rules allow one to benchmark nonequilibrium calculations and help with interpreting the behavior of electrons driven out of equilibrium by an applied electric field. We exactly evaluate the sum rules when the system is in the atomic limit. We also discuss the application of these sum rules to pump/probe experiments like time-resolved angle-resolved photoemission spectroscopy.
We derive frequency moment sum rules for the retarded electronic Green's function and self-energy of the Holstein model for both equilibrium and nonequilibrium cases. We also derive sum rules for the phonon propagator in equilibrium and nonequilibrium. These sum rules allow one to benchmark nonequilibrium calculations and help with interpreting the behavior of electrons driven out of equilibrium by an applied electric field. We exactly evaluate the sum rules when the system is in the atomic limit. We also discuss the application of these sum rules to pump/probe experiments like time-resolved angle-resolved photoemission spectroscopy.
Abstract We derive a general procedure for evaluating the nth derivative of a time-dependent operator in the Heisenberg representation and employ this approach to calculate the zeroth to third spectral moment sum rules of the retarded electronic Green’s function and self-energy for a system described by the Holstein–Hubbard model allowing for arbitrary spatial and time variation of all parameters (including spatially homogeneous electric fields and parameter quenches). For a translationally invariant (but time-dependent) Hamiltonian, we also provide sum rules in momentum space. The sum rules can be applied to various different phenomena like time-resolved angle-resolved photoemission spectroscopy and benchmarking the accuracy of numerical many-body calculations. This work also corrects some errors found in earlier work on simpler models.
One of the challenges in many-body physics is determining the effects of phonons on strongly correlated electrons. The difficulty arises from strong correlations at differing energy scales -- for band metals, Migdal-Eliashberg theory accurately determines electron-phonon coupling effects due to the absence of vertex corrections -- but strongly correlated electrons require a more complex description and the standard Migdal-Eliashberg approach does not necessarily apply. In this work, we solve for the atomic limit Green's function of the Holstein-Hubbard model with both time-dependent electron-electron and electron-phonon couplings. We derive nonequilibrium spectral moment sum rules for the first four moments of the single-particle Green's function. We then analytically confirm that this Green's function exactly satisfies the zeroth, first, and second moment sum rules, and provide numerical evidence that the third spectral moment sum rule also holds. Finally we calculate the two-particle Green's function in the atomic limit. These two functions are required inputs to create a self-consistent strong-coupling expansion for the lattice Green's functions of the Hubbard-Holstein model.
We derive the first two moment sum rules of the conduction electron retarded self-energy for both the Falicov--Kimball model and the Hubbard model coupled to an external spatially uniform and time-dependent electric field (this derivation also extends the known nonequilibrium moment sum rules for the Green functions to the third moment). These sum rules are used to further test the accuracy of nonequilibrium solutions to the many-body problem; for example, we illustrate how well the self-energy sum rules are satisfied for the Falicov--Kimball model in infinite dimensions and placed in a uniform electric field turned on at time t=0t=0t=0. In general, the self-energy sum rules are satisfied to a significantly higher accuracy than the Green function sum rules.
We derive exact expressions for the zeroth and the first three spectral moment sum rules for the retarded Green's function and for the zeroth and the first spectral moment sum rules for the retarded self-energy of the inhomogeneous Bose-Hubbard model in nonequilibrium, when the local on-site repulsion and the chemical potential are time-dependent, and in the presence of an external time-dependent electromagnetic field. We also evaluate these expressions for the homogeneous case in equilibrium, where all time dependence and external fields vanish. Unlike similar sum rules for the Fermi-Hubbard model, in the Bose-Hubbard model case, the sum rules often depend on expectation values that cannot be determined simply from parameters in the Hamiltonian like the interaction strength and chemical potential but require knowledge of equal-time many-body expectation values from some other source. We show how one can approximately evaluate these expectation values for the Mott-insulating phase in a systematic strong-coupling expansion in powers of the hopping divided by the interaction. We compare the exact moment relations to the calculated moments of spectral functions determined from a variety of different numerical approximations and use them to benchmark their accuracy.
A family of exact sum rules for the one-polaron spectral function in the low-density limit is derived. An algorithm to calculate energy moments of arbitrary order of the spectral function is presented. Explicit expressions are given for the first two moments of a model with general electron-phonon interaction, and for the first four moments of the Holstein polaron. The sum rules are linked to experiments on momentum-resolved photoemission spectroscopy. The bare electronic dispersion and the electron-phonon coupling constant can be extracted from the first and second moments of the spectrum. The sum rules could serve as constraints in analytical and numerical studies of electron-phonon models.