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arXiv:1805.10013 · Physical Review Letters

Variational Approach for Impurity Dynamics at Finite Temperature

Weizhe Edward Liu, Jesper Levinsen, Meera M. Parish

Published May 20, 2019• 52 citations
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Abstract

We present a general variational principle for the dynamics of impurity particles immersed in a quantum-mechanical medium. By working within the Heisenberg picture and constructing approximate time-dependent impurity operators, we can take the medium to be in any mixed state, such as a thermal state. Our variational method is consistent with all conservation laws and, in certain cases, it is equivalent to a finite-temperature Green's function approach. As a demonstration of our method, we consider the dynamics of heavy impurities that have suddenly been introduced into a Fermi gas at finite temperature. Using approximate time-dependent impurity operators involving only one particle-hole excitation of the Fermi sea, we find that we can successfully model the results of recent Ramsey interference experiments on ^{40}K atoms in a ^{6}Li Fermi gas. We also show that our approximation agrees well with the exact solution for the Ramsey response of a fixed impurity at finite temperature. Our approach paves the way for the investigation of impurities with dynamical degrees of freedom in arbitrary quantum-mechanical mediums.

DOI
10.1103/physrevlett.122.205301

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We present a general variational principle for the dynamics of impurity particles immersed in a quantum-mechanical medium. By working within the Heisenberg picture and constructing approximate time-dependent impurity operators, we can take the medium to be in any mixed state, such as a thermal state. Our variational method is consistent with all conservation laws and, in certain cases, it is equivalent to a finite-temperature Green's function approach. As a demonstration of our method, we consider the dynamics of heavy impurities that have suddenly been introduced into a Fermi gas at finite temperature. Using approximate time-dependent impurity operators involving only one particle-hole excitation of the Fermi sea, we find that we can successfully model the results of recent Ramsey interference experiments on ^{40}K atoms in a ^{6}Li Fermi gas. We also show that our approximation agrees well with the exact solution for the Ramsey response of a fixed impurity at finite temperature. Our approach paves the way for the investigation of impurities with dynamical degrees of freedom in arbitrary quantum-mechanical mediums.
We present a theory of radio-frequency spectroscopy of impurities interacting with a quantum gas at finite temperature. By working in the canonical ensemble of a single impurity, we show that the impurity spectral response is directly connected to the finite-temperature equation of state (free energy) of the impurity. We consider two different response protocols: injection, where the impurity is introduced into the medium from an initially noninteracting state, and ejection, where the impurity is ejected from an initially interacting state with the medium. We show that there is a simple mapping between injection and ejection spectra, which is connected to the detailed balance condition in thermal equilibrium. To illustrate the power of our approach, we specialize to the case of the Fermi polaron, corresponding to an impurity atom that is immersed in a noninteracting Fermi gas. For a mobile impurity with a mass equal to the fermion mass, we employ a finite-temperature variational approach to obtain the impurity spectral response. We find a striking nonmonotonic dependence on temperature in the impurity free energy, the contact, and the radio-frequency spectra. For the case of an infinitely heavy Fermi polaron, we derive exact results for the finite-temperature free energy, thus generalizing Fumi's theorem to arbitrary temperature. We also determine the exact dynamics of the contact after a quench of the impurity-fermion interactions. Finally, we show that the injection and ejection spectra obtained from the variational approach compare well with the exact spectra, thus demonstrating the accuracy of our approximation method.
We consider the dynamics of an impurity atom immersed in an ideal Fermi gas at zero temperature. We focus on the coherent quantum evolution of the impurity following a quench to strong impurity-fermion interactions, where the interactions are assumed to be short range like in cold-atom experiments. To approximately model the many-body time evolution, we use a truncated basis method, where at most two particle-hole excitations of the Fermi sea are included. When the system is initially noninteracting, we show that our method exactly captures the short-time dynamics following the quench, and we find that the overlap between initial and final states displays a universal nonanalytic dependence on time in this limit. We further demonstrate how our method can be used to compute the impurity spectral function, as well as describe many-body phenomena involving coupled impurity spin states, such as Rabi oscillations in a medium or highly engineered quantum quenches.
We investigate the radio-frequency spectroscopy of impurities interacting with a quantum gas at finite temperature. In the limit of a single impurity, we show using Fermi's golden rule that introducing (or injecting) an impurity into the medium is equivalent to ejecting an impurity that is initially interacting with the medium, since the "injection" and "ejection" spectral responses are simply related to each other by an exponential function of frequency. Thus, the full spectral information for the quantum impurity is contained in the injection spectral response, which can be determined using a range of theoretical methods, including variational approaches. We use this property to compute the finite-temperature equation of state and Tan contact of the Fermi polaron. Our results for the contact of a mobile impurity are in excellent agreement with recent experiments and we find that the finite-temperature behavior is qualitatively different compared to the case of infinite impurity mass.
In this report we discuss the dynamical response of heavy quantum impurities immersed in a Fermi gas at zero and at finite temperature. Studying both the frequency and the time domain allows one to identify interaction regimes that are characterized by distinct many-body dynamics. From this theoretical study a picture emerges in which impurity dynamics is universal on essentially all time scales, and where the high-frequency few-body response is related to the long-time dynamics of the Anderson orthogonality catastrophe by Tan relations. Our theoretical description relies on different and complementary approaches: functional determinants give an exact numerical solution for time- and frequency-resolved responses, bosonization provides accurate analytical expressions at low temperatures, and the theory of Toeplitz determinants allows one to analytically predict response up to high temperatures. Using these approaches we predict the thermal decoherence rate of the fermionic system and prove that within the considered model the fastest rate of long-time decoherence is given by [Formula: see text]. We show that Feshbach resonances in cold atomic systems give access to new interaction regimes where quantum effects can prevail even in the thermal regime of many-body dynamics. The key signature of this phenomenon is a crossover between different exponential decay rates of the real-time Ramsey signal. It is shown that the physics of the orthogonality catastrophe is experimentally observable up to temperatures [Formula: see text] where it leaves its fingerprint in a power-law temperature dependence of thermal spectral weight and we review how this phenomenon is related to the physics of heavy ions in liquid [Formula: see text]He and the formation of Fermi polarons. The presented results are in excellent agreement with recent experiments on LiK mixtures, and we predict several new phenomena that can be tested using currently available experimental technology.
The equilibrium state of a system consisting of a large number of strongly interacting electrons can be characterized by its density operator. This gives a direct access to the ground-state energy or, at finite temperatures, to the free energy of the system as well as to other static physical quantities. Elementary excitations of the system, on the other hand, are described within the language of Green's functions, i.e. time- or frequency-dependent dynamic quantities which give a direct access to the linear response of the system subjected to a weak time-dependent external perturbation. A typical example is angle-revolved photoemission spectroscopy which is linked to the single-electron Green's function. Since usually both, the static as well as the dynamic physical quantities, cannot be obtained exactly for lattice fermion models like the Hubbard model, one has to resort to approximations. Opposed to more ad hoc treatments, variational principles promise to provide consistent and controlled approximations. Here, the Ritz principle and a generalized version of the Ritz principle at finite temperatures for the static case on the one hand and a dynamical variational principle for the single-electron Green's function or the self-energy on the other hand are introduced, discussed in detail and compared to each other to show up conceptual similarities and differences. In particular, the construction recipe for non-perturbative dynamic approximations is taken over from the construction of static mean-field theory based on the generalized Ritz principle. Within the two different frameworks, it is shown which types of approximations are accessible, and their respective weaknesses and strengths are worked out. Static Hartree-Fock theory as well as dynamical mean-field theory are found as the prototypical approximations.
We discuss the interaction of a mobile quantum impurity with a Bose-Einstein condensate of atoms at finite temperature. To describe the resulting Bose polaron formation we develop a dynamical variational approach applicable to an initial thermal gas of Bogoliubov phonons. We study the polaron formation after switching on the interaction, e.g., by a radio-frequency (rf) pulse from a noninteracting to an interacting state. To treat also the strongly interacting regime, interaction terms beyond the Fröhlich model are taken into account. We calculate the real-time impurity Green's function and discuss its temperature dependence. Furthermore we determine the rf absorption spectrum and find good agreement with recent experimental observations. We predict temperature-induced shifts and a substantial broadening of spectral lines. The analysis of the real-time Green's function reveals a crossover to a linear temperature dependence of the thermal decay rate of Bose polarons as unitary interactions are approached.