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arXiv:1406.6506 · New Journal of Physics

Diagrammatic Monte Carlo study of the acoustic and the Bose–Einstein condensate polaron

Jonas Vlietinck, Wim Casteels, Kris Van Houcke, Jacques Tempere, J. Ryckebusch, Jozef T. Devreese

Published Mar 12, 2015• 87 citations
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Abstract

We consider two large polaron systems that are described by a Fröhlich type of Hamiltonian, namely the Bose–Einstein condensate (BEC) polaron in the continuum and the acoustic polaron in a solid. We present ground-state energies of these two systems calculated with the Diagrammatic Monte Carlo (DiagMC) method and with a Feynman all-coupling approach. The DiagMC method evaluates up to very high order a diagrammatic series for the polaron's self-energy. The Feynman all-coupling approach is a variational method that has been used for a wide range of polaronic problems. For the acoustic and BEC polaron both methods provide remarkably similar non-renormalized ground-state energies that are obtained after introducing a finite momentum cutoff. For the renormalized ground-state energies of the BEC polaron, there are relatively large discrepancies between the DiagMC and the Feynman predictions. These differences can be attributed to the renormalization procedure for the contact interaction.

DOI
10.1088/1367-2630/17/3/033023

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We consider two large polaron systems that are described by a Fröhlich type of Hamiltonian, namely the Bose–Einstein condensate (BEC) polaron in the continuum and the acoustic polaron in a solid. We present ground-state energies of these two systems calculated with the Diagrammatic Monte Carlo (DiagMC) method and with a Feynman all-coupling approach. The DiagMC method evaluates up to very high order a diagrammatic series for the polaron's self-energy. The Feynman all-coupling approach is a variational method that has been used for a wide range of polaronic problems. For the acoustic and BEC polaron both methods provide remarkably similar non-renormalized ground-state energies that are obtained after introducing a finite momentum cutoff. For the renormalized ground-state energies of the BEC polaron, there are relatively large discrepancies between the DiagMC and the Feynman predictions. These differences can be attributed to the renormalization procedure for the contact interaction.
We study the properties of the two-dimensional Fermi polaron model in which an impurity attractively interacts with a Fermi sea of particles in the zero-range limit. We use a diagrammatic Monte Carlo (DiagMC) method which allows us to sample a Feynman diagrammatic series to very high order. The convergence properties of the series and the role of multiple particle-hole excitations are discussed. We study the polaron and molecule energy as a function of the coupling strength, revealing a transition from a polaron to a molecule in the ground state. We find a value for the critical interaction strength which complies with the experimentally measured one and predictions from variational methods. For all considered interaction strengths, the polaron ZZZ factor from the full diagrammatic series almost coincides with the one-particle-hole result. We also formally link the DiagMC and the variational approaches for the polaron problem at hand.
When a mobile impurity interacts with a many-body system, such as a phonon bath, a polaron is formed. Despite the importance of the polaron problem for a wide range of physical systems, a unified theoretical description valid for arbitrary coupling strengths is still lacking. Here we develop a renormalization group approach for analyzing a paradigmatic model of polarons, the so-called Fröhlich model, and apply it to a problem of impurity atoms immersed in a Bose-Einstein condensate of ultra cold atoms. Polaron energies obtained by our method are in excellent agreement with recent diagrammatic Monte Carlo calculations for a wide range of interaction strengths. They are found to be logarithmically divergent with the ultra-violet cut-off, but physically meaningful regularized polaron energies are also presented. Moreover, we calculate the effective mass of polarons and find a smooth crossover from weak to strong coupling regimes. Possible experimental tests of our results in current experiments with ultra cold atoms are discussed.
The Fröhlich polaron model describes a ubiquitous class of problems concerned with understanding properties of a single mobile particle interacting with a bosonic reservoir. Originally introduced in the context of electrons interacting with phonons in crystals, this model found applications in such diverse areas as strongly correlated electron systems, quantum information, and high energy physics. In the last few years this model has been applied to describe impurity atoms immersed in Bose-Einstein condensates of ultracold atoms. The tunability of microscopic parameters in ensembles of ultracold atoms and the rich experimental toolbox of atomic physics should allow to test many theoretical predictions and give us new insights into equilibrium and dynamical properties of polarons. In these lecture notes we provide an overview of common theoretical approaches that have been used to study BEC polarons, including Rayleigh-Schrödinger and Green's function perturbation theories, self-consistent Born approximation, mean-field approach, Feynman's variational path integral approach, Monte Carlo simulations, renormalization group calculations, and Gaussian variational ansatz. We focus on the renormalization group approach and provide details of analysis that have not been presented in earlier publications. We show that this method helps to resolve striking discrepancy in polaron energies obtained using mean-field approximation and Monte Carlo simulations. We also discuss applications of this method to the calculation of the effective mass of BEC polarons. As one experimentally relevant example of a non-equililbrium problem we consider Bloch oscillations of Bose polarons and demonstrate that one should find considerable deviations from the commonly accepted phenomenological Esaki-Tsu model. We review which parameter regimes of Bose polarons can be achieved in various atomic mixtures.
We report on a study of a spin-down impurity strongly coupled to a spin-up Fermi sea (a so-called Fermi polaron) with the diagrammatic Monte-Carlo (DiagMC) technique.Conditions of zero temperature and three dimensions are considered for an ultracold atomic gas with resonant interactions in the zero-range limit.A Feynman diagrammatic series is developed for the one-body and two-body propagators providing information about the polaron and molecule channel respectively.The DiagMC technique allows us to reach diagram orders that are high enough for extrapolation to infinite order.The robustness of the extracted results is examined by checking various resummation techniques and by running the simulations with various choices for the propagators and vertex functions.It turns out that dressing the lines in the diagrams as much as possible is not always the optimal choice.We also identify classes of dominant diagrams for the one-body and two-body self-energy in the region of strong interaction.These dominant diagrams turn out to be the leading processes of the strong-coupling limit.The quasiparticle energies and Z-factor are obtained as a function of the interaction strength.We find that the DiagMC results for the molecule and polaron properties are very similar to those obtained with a variational ansatz.Surprisingly, this variational ansatz gives very good predictions for the quasiparticle residue even when this residue is significantly smaller than one.
The description of an impurity atom in a Bose-Einstein condensate can be cast in the form of Fr\"ohlich's polaron Hamiltonian, where the Bogoliubov excitations play the role of the phonons. An expression for the corresponding polaronic coupling strength is derived, relating the coupling strength to the scattering lengths, the trap size and the number of Bose condensed atoms. This allows to identify several approaches to reach the strong-coupling limit for the quantum gas polarons, whereas this limit was hitherto experimentally inaccessible in solids. We apply Feynman's path-integral method to calculate for all coupling strengths the polaronic shift in the free energy and the increase in the effective mass. The effect of temperature on these quantities is included in the description. We find similarities to the acoustic polaron results and indications of a transition between free polarons and self-trapped polarons. The prospects, based on the current theory, of investigating the polaron physics with ultracold gases are discussed for lithium atoms in a sodium condensate.
We present results for the solution of the large polaron Fr\"ohlich Hamiltonian in 3 dimensions (3D) and 2 dimensions (2D) obtained via the diagrammatic Monte Carlo (DMC) method. Our implementation is based on the approach by Mishchenko [A. S. Mishchenko et al., Phys. Rev. B 62, 6317 (2000)]. Polaron ground state energies and effective polaron masses are successfully benchmarked with data obtained using Feynman's path integral formalism. By comparing 3D and 2D data, we verify the analytically exact scaling relations for energies and effective masses from $3\mathrm{D}\ensuremath{\rightarrow}2\mathrm{D}$, which provides a stringent test for the quality of DMC predictions. The accuracy of our results is further proven by providing values for the exactly known coefficients in weak- and strong-coupling expansions. Moreover, we compute polaron dispersion curves which are validated with analytically known lower and upper limits in the small-coupling regime and verify the first-order expansion results for larger couplings, thus disproving previous critiques on the apparent incompatibility of DMC with analytical results and furnishing useful reference for a wide range of coupling strengths.