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Energy estimates for the two-dimensional Fermi polaron

Ulrich Linden

Published Jan 1, 2017• 5 citations
Publisher

Abstract

This thesis is concerned with the quantum mechanical system of a single particle interacting with an ideal gas of identical fermions by point interaction. In the physics literature this system is often referred to as Fermi polaron. We investigate the two-dimensional Fermi polaron. Unlike the one-dimensional case, point interactions in two or three dimensions cannot be implemented as perturbation of the quadratic form of the Laplacian. Either they are obtained as self-adjoint extensions of the Laplacian restricted to functions that vanish when the coordinates of two particles coincide, or they are constructed by a suitable limiting process. Choosing the second approach, a many-body operator with two-particle point interaction has firstly been rigorously defined by Dell'Antonio, Figari and Teta. We consider the Fermi polaron confined to a box with periodic boundary conditions and we identify a broad class of regularization schemes that approximate the Hamiltonian of the Fermi polaron as limit operator in the strong resolvent sense. The Hamiltonian is not given by a closed form, which could be conveniently used in standard variational principles. We establish a novel variational principle that characterizes all bound states, i.e. all energy eigenstates below the bottom of the spectrum of the kinetic energy. This variational principle turns out to be very useful for the following purposes. The ground state of the Fermi polaron is expected to be well approximated by the polaron and the molecule ansatz in the regime of weak and strong coupling between the impurity and the Fermi gas, respectively. In the physics literature, these two classes of trial states are used for variational computations with the (ultraviolet) regularized Hamiltonian. Although the implicit expressions for the minimal energy of both classes allow for the removal of the ultraviolet cutoff, it remains unclear whether the results are upper bounds to the ground state energy of the Fermi polaron. We show that the minimization of energy over polaron and molecule trial states can be reformulated in a natural way with the help of our variational principle. By doing so, the classes of trial states simplify considerably, and since there is no reference to regularized quantities, we can prove that the expressions for the polaron and the molecule energy in the physics literature are indeed upper bounds to the ground state energy of the Fermi polaron. As a further application of the variational principle, we prove analytically that to first order in a particle-hole expansion the molecule ansatz yields a better approximation to the ground state energy than the polaron ansatz if the coupling between the impurity and the Fermi gas is strong enough. So far, this had only been done numerically. The concluding chapter is devoted to the derivation of a lower bound to the ground state energy of the Fermi polaron in two-dimensional space. We show that the ground state energy can be bounded from below by a quantity that does not depend on the number of fermions in the Fermi gas. This result is correct under the assumption that the ratio of the mass of the impurity and the mass of a fermion exceeds 1.225. We also present a method which might yield a similar result for lower mass ratios. This method gives an estimate for the quadratic form of the regularized Hamiltonian in position space representation. In this connection, we present an inequality that bounds a singular potential of a two-dimensional Fermi gas depending only on the minimal distance between two fermions by the kinetic energy of the Fermi gas uniformly in the number of fermions. This inequality also applies to a potential with singularity 1/r^2, for which the Hardy inequality does not hold in two dimensions. Therefore, the full antisymmetry of the wave function has to be taken into account.

DOI
10.18419/opus-9208

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ISTA Thesis

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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.

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It has been commonly believed that a polaron-to-molecule transition occurs in three-dimensional (3D) and 2D Fermi polaron systems as the attraction between the single impurity and majority fermions gets stronger. The conclusion has been drawn from the separate treatment of polaron and molecule states and thus deserves a close reexamination. In this work, we explore the physics of polarons and molecules by utilizing a unified variational Ansatz with up to two particle-hole (ph) excitations (V-2ph). We confirm the existence of a first-order transition in 3D and 2D Fermi polarons, and we show that the nature of such a transition lies in an energy competition between systems with different momenta, $\mathbf{Q}=\mathbit{0}$ and $|\mathbf{Q}|={k}_{F}$; here $\mathbf{Q}$ is defined as the momentum of a Fermi polaron system with respect to the Fermi sea of majority fermions (with Fermi momentum ${k}_{F}$). The literally proposed molecule Ansatz is identified as an asymptotic limit of the $|\mathbf{Q}|={k}_{F}$ state in a strong-coupling regime, which implies a huge $\text{SO}(3)$ (for 3D) or $\text{SO}(2)$ (for 2D) ground-state degeneracy in this regime. The recognition of such degeneracy is crucially important for evaluating the molecule occupation in realistic systems with finite impurity density and at finite temperature. To compare with recent experiment of 3D Fermi polarons, we have calculated various physical quantities under the V-2ph framework, and we obtained results that are in good agreement with experimental data in the weak-coupling and near-resonance regime. Further, to check the validity of our conclusion in 2D, we have adopted a different variational method based on the Gaussian sample of high-order ph excitations (V-Gph), and we found the same conclusion on the nature of the polaron-molecule transition therein. For a 1D system, the V-2ph method predicts no sharp transition, and the ground state is always at the $\mathbf{Q}=\mathbit{0}$ sector, consistent with the exact Bethe-Ansatz solution. The presence/absence of a polaron-molecule transition is analyzed to be closely related to the interplay effect of Pauli-blocking and ph excitations in different dimensions.

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We address the problem of a single ``spin-down'' impurity atom interacting attractively with a spin-up Fermi gas in two dimensions (2D). We consider the case where the mass of the impurity is greater than or equal to the mass of a spin-up fermion. Using a variational approach, we resolve the questions raised by previous studies and show that there is, in fact, a transition between polaron and molecule (dimer) ground states in 2D. For the molecule state, we use a variational wave function with a single particle-hole excitation on the Fermi sea and we find that its energy matches that of the exact solution in the limit of infinite impurity mass. Thus, we expect the variational approach to provide a reliable tool for investigating 2D systems.

arXiv:1102.5534•Physical Review A•May 11, 2011•100 citations
This thesis is concerned with the quantum mechanical system of a single particle interacting with an ideal gas of identical fermions by point interaction. In the physics literature this system is often referred to as Fermi polaron. We investigate the two-dimensional Fermi polaron. Unlike the one-dimensional case, point interactions in two or three dimensions cannot be implemented as perturbation of the quadratic form of the Laplacian. Either they are obtained as self-adjoint extensions of the Laplacian restricted to functions that vanish when the coordinates of two particles coincide, or they are constructed by a suitable limiting process. Choosing the second approach, a many-body operator with two-particle point interaction has firstly been rigorously defined by Dell'Antonio, Figari and Teta. We consider the Fermi polaron confined to a box with periodic boundary conditions and we identify a broad class of regularization schemes that approximate the Hamiltonian of the Fermi polaron as limit operator in the strong resolvent sense. The Hamiltonian is not given by a closed form, which could be conveniently used in standard variational principles. We establish a novel variational principle that characterizes all bound states, i.e. all energy eigenstates below the bottom of the spectrum of the kinetic energy. This variational principle turns out to be very useful for the following purposes. The ground state of the Fermi polaron is expected to be well approximated by the polaron and the molecule ansatz in the regime of weak and strong coupling between the impurity and the Fermi gas, respectively. In the physics literature, these two classes of trial states are used for variational computations with the (ultraviolet) regularized Hamiltonian. Although the implicit expressions for the minimal energy of both classes allow for the removal of the ultraviolet cutoff, it remains unclear whether the results are upper bounds to the ground state energy of the Fermi polaron. We show that the minimization of energy over polaron and molecule trial states can be reformulated in a natural way with the help of our variational principle. By doing so, the classes of trial states simplify considerably, and since there is no reference to regularized quantities, we can prove that the expressions for the polaron and the molecule energy in the physics literature are indeed upper bounds to the ground state energy of the Fermi polaron. As a further application of the variational principle, we prove analytically that to first order in a particle-hole expansion the molecule ansatz yields a better approximation to the ground state energy than the polaron ansatz if the coupling between the impurity and the Fermi gas is strong enough. So far, this had only been done numerically. The concluding chapter is devoted to the derivation of a lower bound to the ground state energy of the Fermi polaron in two-dimensional space. We show that the ground state energy can be bounded from below by a quantity that does not depend on the number of fermions in the Fermi gas. This result is correct under the assumption that the ratio of the mass of the impurity and the mass of a fermion exceeds 1.225. We also present a method which might yield a similar result for lower mass ratios. This method gives an estimate for the quadratic form of the regularized Hamiltonian in position space representation. In this connection, we present an inequality that bounds a singular potential of a two-dimensional Fermi gas depending only on the minimal distance between two fermions by the kinetic energy of the Fermi gas uniformly in the number of fermions. This inequality also applies to a potential with singularity 1/r^2, for which the Hardy inequality does not hold in two dimensions. Therefore, the full antisymmetry of the wave function has to be taken into account.
We analyze the ground state energy for N fermions in a two-dimensional box interacting with an impurity particle via two-body point interactions. We allow for mass ratios M > 1.225 between the impurity mass and the mass of a fermion and consider arbitrarily large box sizes while keeping the Fermi energy fixed. Our main result shows that the ground state energy in the limit of weak coupling is given by the polaron energy. The polaron energy is an energy estimate based on trial states up to first order in particle-hole expansion, which was proposed by Chevy in the physics literature. For the proof we apply a Birman-Schwinger principle that was recently obtained by Griesemer and Linden. One main new ingredient is a suitable localization of the polaron energy.
Abstract We analyze the ground state energy of N fermions in a two-dimensional box interacting with an impurity particle via two-body point interactions. We show that for weak coupling, the ground state energy is asymptotically described by the polaron energy, as proposed by F. Chevy in the physics literature. The polaron energy is the solution of a nonlinear equation involving the Green’s function of the free Fermi gas and the binding energy of the two-body point interaction. We provide quantitative error estimates that are uniform in the thermodynamic limit.
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.
It has been commonly believed that a polaron-to-molecule transition occurs in three-dimensional (3D) and 2D Fermi polaron systems as the attraction between the single impurity and majority fermions gets stronger. The conclusion has been drawn from the separate treatment of polaron and molecule states and thus deserves a close reexamination. In this work, we explore the physics of polarons and molecules by utilizing a unified variational Ansatz with up to two particle-hole (ph) excitations (V-2ph). We confirm the existence of a first-order transition in 3D and 2D Fermi polarons, and we show that the nature of such a transition lies in an energy competition between systems with different momenta, $\mathbf{Q}=\mathbit{0}$ and ∣Q∣=kF|\mathbf{Q}|={k}_{F}∣Q∣=kF​; here Q\mathbf{Q}Q is defined as the momentum of a Fermi polaron system with respect to the Fermi sea of majority fermions (with Fermi momentum kF{k}_{F}kF​). The literally proposed molecule Ansatz is identified as an asymptotic limit of the ∣Q∣=kF|\mathbf{Q}|={k}_{F}∣Q∣=kF​ state in a strong-coupling regime, which implies a huge SO(3)\text{SO}(3)SO(3) (for 3D) or SO(2)\text{SO}(2)SO(2) (for 2D) ground-state degeneracy in this regime. The recognition of such degeneracy is crucially important for evaluating the molecule occupation in realistic systems with finite impurity density and at finite temperature. To compare with recent experiment of 3D Fermi polarons, we have calculated various physical quantities under the V-2ph framework, and we obtained results that are in good agreement with experimental data in the weak-coupling and near-resonance regime. Further, to check the validity of our conclusion in 2D, we have adopted a different variational method based on the Gaussian sample of high-order ph excitations (V-Gph), and we found the same conclusion on the nature of the polaron-molecule transition therein. For a 1D system, the V-2ph method predicts no sharp transition, and the ground state is always at the $\mathbf{Q}=\mathbit{0}$ sector, consistent with the exact Bethe-Ansatz solution. The presence/absence of a polaron-molecule transition is analyzed to be closely related to the interplay effect of Pauli-blocking and ph excitations in different dimensions.
We investigate a single impurity interacting with a free two-dimensional atomic Fermi gas. The interaction between the impurity and the gas is characterized by an arbitrary attractive short-range potential, which, in two dimensions, always admits a two-particle bound state. We provide analytical expressions for the energy and the effective mass of the dressed impurity by including the two-body bound state, which is crucial for strong interactions, in the integral equation for the effective interaction. Using the same method, we also give the results for the polaron parameters in one and three dimensions and find good agreement with previous results. Thus, our relations can be used as a simple way to estimate the polaron parameters once the two-body bound state of the interaction potential is known.
We address the problem of a single ``spin-down'' impurity atom interacting attractively with a spin-up Fermi gas in two dimensions (2D). We consider the case where the mass of the impurity is greater than or equal to the mass of a spin-up fermion. Using a variational approach, we resolve the questions raised by previous studies and show that there is, in fact, a transition between polaron and molecule (dimer) ground states in 2D. For the molecule state, we use a variational wave function with a single particle-hole excitation on the Fermi sea and we find that its energy matches that of the exact solution in the limit of infinite impurity mass. Thus, we expect the variational approach to provide a reliable tool for investigating 2D systems.