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arXiv:1809.01204 · Physical review. B./Physical review. B

Theory of the rotating polaron: Spectrum and self-localization

Enderalp Yakaboylu, Bikashkali Midya, Andreas Deuchert, Nikolai Leopold, Mikhail Lemeshko

Published Dec 12, 2018• 19 citations
arXivHTMLPDF

Abstract

We study a quantum impurity possessing both translational and internal rotational degrees of freedom interacting with a bosonic bath. Such a system corresponds to a ``rotating polaron,'' which can be used to model, e.g., a rotating molecule immersed in an ultracold Bose gas or superfluid helium. We derive the Hamiltonian of the rotating polaron and study its spectrum in the weak- and strong-coupling regimes using a combination of variational, diagrammatic, and mean-field approaches. We reveal how the coupling between linear and angular momenta affects stable quasiparticle states, and demonstrate that internal rotation leads to an enhanced self-localization in the translational degrees of freedom.

DOI
10.1103/physrevb.98.224506

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ISTA Thesis

Krzysztof Myśliwy

The polaron model is a basic model of quantum field theory describing a single particle interacting with a bosonic field. It arises in many physical contexts. We are mostly concerned with models applicable in the context of an impurity atom in a Bose-Einstein condensate as well as the problem of electrons moving in polar crystals. The model has a simple structure in which the interaction of the particle with the field is given by a term linear in the field’s creation and annihilation operators. In this work, we investigate the properties of this model by providing rigorous estimates on various energies relevant to the problem. The estimates are obtained, for the most part, by suitable operator techniques which constitute the principal mathematical substance of the thesis. The first application of these techniques is to derive the polaron model rigorously from first principles, i.e., from a full microscopic quantum-mechanical many-body problem involving an impurity in an otherwise homogeneous system. We accomplish this for the N + 1 Bose gas in the mean-field regime by showing that a suitable polaron-type Hamiltonian arises at weak interactions as a low-energy effective theory for this problem. In the second part, we investigate rigorously the ground state of the model at fixed momentum and for large values of the coupling constant. Qualitatively, the system is expected to display a transition from the quasi-particle behavior at small momenta, where the dispersion relation is parabolic and the particle moves through the medium dragging along a cloud of phonons, to the radiative behavior at larger momenta where the polaron decelerates and emits free phonons. At the same time, in the strong coupling regime, the bosonic field is expected to behave purely classically. Accordingly, the effective mass of the polaron at strong coupling is conjectured to be asymptotically equal to the one obtained from the semiclassical counterpart of the problem, first studied by Landau and Pekar in the 1940s. For polaron models with regularized form factors and phonon dispersion relations of superfluid type, i.e., bounded below by a linear function of the wavenumbers for all phonon momenta as in the interacting Bose gas, we prove that for a large window of momenta below the radiation threshold, the energy-momentum relation at strong coupling is indeed essentially a parabola with semi-latus rectum equal to the Landau–Pekar effective mass, as expected. For the Fröhlich polaron describing electrons in polar crystals where the dispersion relation is of the optical type and the form factor is formally UV–singular due to the nature of the point charge-dipole interaction, we are able to give the corresponding upper bound. In contrast to the regular case, this requires the inclusion of the quantum fluctuations of the phonon field, which makes the problem considerably more difficult. The results are supplemented by studies on the absolute ground-state energy at strong coupling, a proof of the divergence of the effective mass with the coupling constant for a wide class of polaron models, as well as the discussion of the apparent UV singularity of the Fröhlich model and the application of the techniques used for its removal for the energy estimates.

•Jan 1, 2022•0 citations
We study a quantum impurity possessing both translational and internal rotational degrees of freedom interacting with a bosonic bath. Such a system corresponds to a ``rotating polaron,'' which can be used to model, e.g., a rotating molecule immersed in an ultracold Bose gas or superfluid helium. We derive the Hamiltonian of the rotating polaron and study its spectrum in the weak- and strong-coupling regimes using a combination of variational, diagrammatic, and mean-field approaches. We reveal how the coupling between linear and angular momenta affects stable quasiparticle states, and demonstrate that internal rotation leads to an enhanced self-localization in the translational degrees of freedom.
The existence of a self-localization transition in the polaron problem has been under an active debate ever since Landau suggested it 84 years ago. Here we reveal the self-localization transition for the rotational analog of the polaron---the angulon quasiparticle. We show that, unlike for the polarons, self-localization of angulons occurs at finite impurity-bath coupling already at the mean-field level. The transition is accompanied by the spherical-symmetry breaking of the angulon ground state and a discontinuity in the first derivative of the ground-state energy. Moreover, the type of symmetry breaking is dictated by the symmetry of the microscopic impurity-bath interaction, which leads to a number of distinct self-localized states. The predicted effects can potentially be addressed in experiments on cold molecules trapped in superfluid helium droplets and ultracold quantum gases, as well as on electronic excitations in solids and Bose-Einstein condensates.
The oft-quoted dictum by Arthur Schawlow: ``A diatomic molecule has one atom too many'' has been disavowed. Inspired by the possibility to experimentally manipulate and enhance chemical reactivity in helium nanodroplets, we investigate the rotation of coupled cold molecules in the presence of a many-body environment. In this thesis, we introduce new variational approaches to quantum impurities and apply them to the Fröhlich polaron - a quasiparticle formed out of an electron (or other point-like impurity) in a polar medium, and to the angulon - a quasiparticle formed out of a rotating molecule in a bosonic bath. With this theoretical toolbox, we reveal the self-localization transition for the angulon quasiparticle. We show that, unlike for polarons, self-localization of angulons occurs at finite impurity-bath coupling already at the mean-field level. The transition is accompanied by the spherical-symmetry breaking of the angulon ground state and a discontinuity in the first derivative of the ground-state energy. Moreover, the type of symmetry breaking is dictated by the symmetry of the microscopic impurity-bath interaction, which leads to a number of distinct self-localized states. For the system containing multiple impurities, by analogy with the bipolaron, we introduce the biangulon quasiparticle describing two rotating molecules that align with respect to each other due to the effective attractive interaction mediated by the excitations of the bath. We study this system from the strong-coupling regime to the weak molecule-bath interaction regime. We show that the molecules tend to have a strong alignment in the ground state, the biangulon shows shifted angulon instabilities and an additional spectral instability, where resonant angular momentum transfer between the molecules and the bath takes place. Finally, we introduce a diagonalization scheme that allows us to describe the transition from two separated angulons to a biangulon as a function of the distance between the two molecules.
This review describes the field of Bose polarons, arising when mobile impurities are immersed into a bosonic quantum gas. The latter can be realized by a Bose-Einstein condensate of ultracold atoms, or of exciton polaritons in a semiconductor, which has led to a series of experimental observations of Bose polarons near inter-species Feshbach resonances that we survey. Following an introduction to the topic, with references to its historic roots and a presentation of the Bose polaron Hamiltonian, we summarize state-of-the-art experiments. Next we provide a detailed discussion of polaron models, starting from the ubiquitous Fröhlich Hamiltonian that applies at weak couplings. Already this highly simplified model allows insights into ultra-violet divergencies, logarithmic and power-law, that need to be properly regularized. To capture the physics near a Feshbach resonance, two-phonon scattering terms on the impurity as well as phonon-phonon interactions need to be included. We proceed by a survey of concurrent theoretical methods used for solving strongly interacting Bose polaron problems, ranging from Lee-Low-Pines mean-field theory, Chevy-ansatz, Gross-Pitaevskii-equation to diagrammatic Monte Carlo approaches. The subsequent sections are devoted to the large bodies of work investigating strong coupling Bose polarons, including detailed comparisons with radio-frequency spectra obtained in ultracold atom experiments; to investigations of universal few-body and Efimov states associated with a Feshbach resonance in atomic mixtures; to studies of quantum dynamics and polarons out of equilibrium; Bose polarons in low-dimensional 1D and 2D quantum systems; induced interactions among polarons and bipolaron formation; and to Bose polarons at non-zero temperatures. We end our review by detailed discussions of closely related experimental setups and systems, including ionic impurities, systems with strong light-matter interactions, and variations and extensions of the Bose polaron concepts e.g. to baths with topological order or strong interactions relevant for correlated electrons. Finally, an outlook is presented, highlighting possible future research directions and open questions in the field as a whole.
This review describes the field of Bose polarons, arising when mobile impurities are immersed into a bosonic quantum gas. The latter can be realized by a Bose-Einstein condensate (BEC) of ultracold atoms, or of exciton polaritons in a semiconductor, which has led to a series of experimental observations of Bose polarons near inter-species Feshbach resonances that we survey. Following an introduction to the topic, with references to its historic roots and a presentation of the Bose polaron Hamiltonian, we summarize state-of-the-art experiments. Next we provide a detailed discussion of polaron models, starting from the ubiquitous Fröhlich Hamiltonian that applies at weak couplings. We proceed by a survey of concurrent theoretical methods used for solving strongly interacting Bose polaron problems. The subsequent sections are devoted to the large bodies of work investigating strong coupling Bose polarons, including detailed comparisons with radio-frequency (RF) spectra obtained in ultracold atom experiments; to investigations of universal few-body and Efimov states associated with a Feshbach resonance in atomic mixtures; to studies of quantum dynamics and polarons out of equilibrium; Bose polarons in low-dimensional; induced interactions among polarons and bipolaron formation; and to Bose polarons at non-zero temperatures. We end our review by detailed discussions of closely related experimental setups and systems, including ionic impurities, systems with strong light-matter interactions, and variations and extensions of the Bose polaron concepts e.g. to baths with topological order or strong interactions relevant for correlated electrons. Finally, an outlook is presented, highlighting possible future research directions and open questions in the field as a whole.
Bose polarons, quasiparticles composed of mobile impurities surrounded by cold Bose gas, can experience strong interactions mediated by the many-body environment and form bipolaron bound states. Here we present a detailed study of heavy polarons in a one-dimensional Bose gas by formulating a nonperturbative theory and complementing it with exact numerical simulations. We develop an analytic approach for weak boson-boson interactions and arbitrarily strong impurity-boson couplings. Our approach is based on a mean-field theory that accounts for deformations of the superfluid by the impurities and in this way minimizes quantum fluctuations. The mean-field equations are solved exactly in the Born-Oppenheimer approximation, leading to an analytic expression for the interaction potential of heavy polarons, which is found to be in excellent agreement with quantum Monte Carlo (QMC) results. In the strong coupling limit, the potential substantially deviates from the exponential form valid for weak coupling and has a linear shape at short distances. Taking into account the leading-order Born-Huang corrections, we calculate bipolaron binding energies for impurity-boson mass ratios as low as 3 and find excellent agreement with QMC results.
The polaron model is a basic model of quantum field theory describing a single particle interacting with a bosonic field. It arises in many physical contexts. We are mostly concerned with models applicable in the context of an impurity atom in a Bose-Einstein condensate as well as the problem of electrons moving in polar crystals. The model has a simple structure in which the interaction of the particle with the field is given by a term linear in the field’s creation and annihilation operators. In this work, we investigate the properties of this model by providing rigorous estimates on various energies relevant to the problem. The estimates are obtained, for the most part, by suitable operator techniques which constitute the principal mathematical substance of the thesis. The first application of these techniques is to derive the polaron model rigorously from first principles, i.e., from a full microscopic quantum-mechanical many-body problem involving an impurity in an otherwise homogeneous system. We accomplish this for the N + 1 Bose gas in the mean-field regime by showing that a suitable polaron-type Hamiltonian arises at weak interactions as a low-energy effective theory for this problem. In the second part, we investigate rigorously the ground state of the model at fixed momentum and for large values of the coupling constant. Qualitatively, the system is expected to display a transition from the quasi-particle behavior at small momenta, where the dispersion relation is parabolic and the particle moves through the medium dragging along a cloud of phonons, to the radiative behavior at larger momenta where the polaron decelerates and emits free phonons. At the same time, in the strong coupling regime, the bosonic field is expected to behave purely classically. Accordingly, the effective mass of the polaron at strong coupling is conjectured to be asymptotically equal to the one obtained from the semiclassical counterpart of the problem, first studied by Landau and Pekar in the 1940s. For polaron models with regularized form factors and phonon dispersion relations of superfluid type, i.e., bounded below by a linear function of the wavenumbers for all phonon momenta as in the interacting Bose gas, we prove that for a large window of momenta below the radiation threshold, the energy-momentum relation at strong coupling is indeed essentially a parabola with semi-latus rectum equal to the Landau–Pekar effective mass, as expected. For the Fröhlich polaron describing electrons in polar crystals where the dispersion relation is of the optical type and the form factor is formally UV–singular due to the nature of the point charge-dipole interaction, we are able to give the corresponding upper bound. In contrast to the regular case, this requires the inclusion of the quantum fluctuations of the phonon field, which makes the problem considerably more difficult. The results are supplemented by studies on the absolute ground-state energy at strong coupling, a proof of the divergence of the effective mass with the coupling constant for a wide class of polaron models, as well as the discussion of the apparent UV singularity of the Fröhlich model and the application of the techniques used for its removal for the energy estimates.