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arXiv:1709.07408 · Physical Review A

Hartree-Fock treatment of Fermi polarons using the Lee-Low-Pine transformation

Ben Kain, Hong Yuan Ling

Published Sep 21, 2017• 15 citations
arXivHTMLPDF

Abstract

We consider the Fermi polaron problem at zero temperature, where a single impurity interacts with noninteracting host fermions. We approach the problem starting with a Fr\"ohlich-like Hamiltonian where the impurity is described with canonical position and momentum operators. We apply the Lee-Low-Pine (LLP) transformation to change the fermionic Fr\"ohlich Hamiltonian into the fermionic LLP Hamiltonian, which describes a many-body system containing host fermions only. We adapt the self-consistent Hartree-Fock (HF) approach, first proposed by Edwards, to the fermionic LLP Hamiltonian in which a pair of host fermions with momenta $\mathbf{k}$ and ${\mathbf{k}}^{\ensuremath{'}}$ interact with a potential proportional to $\mathbf{k}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{k}}^{\ensuremath{'}}$. We apply the HF theory, which has the advantage of not restricting the number of particle-hole pairs, to repulsive Fermi polarons in one dimension. When the impurity and host fermion masses are equal our variational ansatz, where HF orbitals are expanded in terms of free-particle states, produces results in excellent agreement with McGuire's exact analytical results based on the Bethe ansatz. This work raises the prospect of using the HF ansatz and its time-dependent generalization as building blocks for developing all-coupling theories for both equilibrium and nonequilibrium Fermi polarons in higher dimensions.

DOI
10.1103/physreva.96.033627

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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.

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Repulsive Polarons in One-Dimensional Fermi Gases*

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Abstract Using the variational method, we study the properties of a spin-down impurity immersed in a one-dimensional (1D) spin-up Fermi sea. With repulsive interactions between them, the impurity is dressed up by surrounding particles in Fermi sea and forms a polaron. We clearly calculate the binding energy, effective mass, momentum distribution, Tan contact, and pair correlation. Even in strong repulsive regimes, the results can agree with the exact Bethe Ansatz results. The repulsive polaron energy E + is below Fermi energy E F and no negative effective masses are found in whole interaction regimes, unequal masses polarons are also calculated. We show a clear momentum distribution and calculate the Tan contact from three different aspects. Furthermore, we explore the particle-hole excitation and find that the hole terms in Fermi sea have a great influence on the polaron energy and contact in repulsive regime. These results show that the variational method can still be used effectively in 1D repulsive polaron system .

Communications in Theoretical Physics•May 1, 2019•3 citations
We consider the Fermi polaron problem at zero temperature, where a single impurity interacts with noninteracting host fermions. We approach the problem starting with a Fr"ohlich-like Hamiltonian where the impurity is described with canonical position and momentum operators. We apply the Lee-Low-Pine (LLP) transformation to change the fermionic Fr"ohlich Hamiltonian into the fermionic LLP Hamiltonian, which describes a many-body system containing host fermions only. We adapt the self-consistent Hartree-Fock (HF) approach, first proposed by Edwards, to the fermionic LLP Hamiltonian in which a pair of host fermions with momenta k\mathbf{k}k and k\ensuremath′{\mathbf{k}}^{\ensuremath{'}}k\ensuremath′ interact with a potential proportional to k\ifmmode⋅\else\textperiodcentered\fik\ensuremath′\mathbf{k}\ifmmode\cdot\else\textperiodcentered\fi{}{\mathbf{k}}^{\ensuremath{'}}k\ifmmode⋅\else\textperiodcentered\fik\ensuremath′. We apply the HF theory, which has the advantage of not restricting the number of particle-hole pairs, to repulsive Fermi polarons in one dimension. When the impurity and host fermion masses are equal our variational ansatz, where HF orbitals are expanded in terms of free-particle states, produces results in excellent agreement with McGuire's exact analytical results based on the Bethe ansatz. This work raises the prospect of using the HF ansatz and its time-dependent generalization as building blocks for developing all-coupling theories for both equilibrium and nonequilibrium Fermi polarons in higher dimensions.
We adapt the generalized Hartree-Fock-Bogoliubov (HFB) method to an interacting many-phonon system free of impurities. The many-phonon system is obtained from applying the Lee-Low-Pine (LLP) transformation to the Fr\"ohlich model which describes a mobile impurity coupled to noninteracting phonons. We specialize our general HFB description of the Fr\"ohlich polaron to Bose polarons in quasi-one-dimensional cold-atom mixtures. The LLP-transformed many-phonon system distinguishes itself with an artificial phonon-phonon interaction which is very different from the usual two-body interaction. We use the quasi-one-dimensional model, which is free of an ultraviolet divergence that exists in higher dimensions, to better understand how this unique interaction affects polaron states and how the density and pair correlations inherent to the HFB method conspire to create a polaron ground state with an energy in good agreement with and far closer to the prediction from Feynman's variational path integral approach than mean-field theory where HFB correlations are absent.
We study the Fermi polaron problem of one mobile spin-up impurity immersed atop the bath consisting of spin-down fermions in one- and two-dimensional square lattices. We solve this problem by applying a variational approach with non-Gaussian states after separating the impurity and the background via the Lee-Low-Pines transformation. The ground state with a fixed total momentum can be obtained via imaginary-time evolution. For the one-dimensional case, the variational ground-state energy is compared with exact Bethe ansatz solutions and numerical density matrix renormalization-group results with excellent agreement. In two-dimensional lattices, we focus on the dilute limit, and find a polaron-molecule evolution consistent with previous results obtained by variational and quantum Monte Carlo methods for models in continuum space. Compared to previous works, our method provides the lowest ground-state energy in the entire parameter region considered, and has an apparent advantage as it does not need to assume a priori any specific form of the variational wave function.
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 investigate the Fermi-polaron system with one mobile impurity immersed atop a two-component interacting fermion bath in one- and two-dimensional square lattices, where the impurity atom interacts with only one species (the spin-up component) of the background. The ground state with a given total momentum can be approximated by an extended Gaussian state, which is constructed from the combination of Gaussian states and a non-Gaussian polaronic transformation (Lee-Low-Pines transformation). In the few-body limit, the variational energies of two- and three-body systems show good agreement with exact results, which indicates the validity of the non-Gaussian variational method. We then move on to the many-body limit, i.e., the polaron problem with an interacting background. We choose two representative fillings of the background fermions, $\ensuremath{\rho}=1/4,1/2$, and obtain the corresponding ground states. Our results show that the system will undergo a smooth crossover from a Fermi-polaron to a Bose-polaron system as the interaction between background fermions increases. We further analyze the double occupancy and momentum distribution of the background fermions and find that the impurity will not significantly affect the background pairing.
We consider the problem of a single particle interacting with NNN identical fermions, at zero temperature and in one dimension. We calculate the binding energy as well as the effective mass of the single particle. We use an approximate method developed in the three-dimensional case, where the Hilbert space for the excited states of the NNN fermions is restricted to have at most two particle-hole pairs. When the mass of the single particle is equal to the fermion mass, we find excellent agreement with the exact results of McGuire. When the mass of the single particle is infinite, we solve exactly the problem and find again excellent agreement between approximate results and exact ones. This overall agreement in one dimension gives a strong validation for the approximate method applied in three dimensions. Moreover it shows that our approximate treatment is excellent for the one-dimensional problem in the general case with respect to the mass of the single particle.
Abstract Using the variational method, we study the properties of a spin-down impurity immersed in a one-dimensional (1D) spin-up Fermi sea. With repulsive interactions between them, the impurity is dressed up by surrounding particles in Fermi sea and forms a polaron. We clearly calculate the binding energy, effective mass, momentum distribution, Tan contact, and pair correlation. Even in strong repulsive regimes, the results can agree with the exact Bethe Ansatz results. The repulsive polaron energy E + is below Fermi energy E F and no negative effective masses are found in whole interaction regimes, unequal masses polarons are also calculated. We show a clear momentum distribution and calculate the Tan contact from three different aspects. Furthermore, we explore the particle-hole excitation and find that the hole terms in Fermi sea have a great influence on the polaron energy and contact in repulsive regime. These results show that the variational method can still be used effectively in 1D repulsive polaron system .