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arXiv:2306.00254

The density-functional theory of quantum droplets

Fan Zhang, Lan Yin

Published Jun 1, 2023• 0 citations
arXivHTMLPDF

Abstract

In quantum droplets, the mean-field energy is comparable to the Lee-Huang-Yang (LHY) energy. In the Bogoliubov theory, the LHY energy of the quantum droplet has an imaginary part, but it is neglected for practical purposes. So far, most theoretical studies of quantum droplets have been based on the extended Gross-Pitaevskii (GP) equation obtained by adding the LHY energy to the GP equation. In this article, we present the density-functional theory of quantum droplets. In our approach, the quantum fluctuations in quantum droplets, as described by an effective action, generate the correlation energy which is real and can be determined self-consistently. Using the density-functional theory, we calculate higher-order corrections to the energy, the quantum depletion fraction, and the excitations of the droplet. Our results for the ground-state energy and the quantum depletion fraction are compared with the Monte Carlo results and good agreement is found. The implications of our theory are discussed.

DOI
10.48550/arxiv.2306.00254

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In quantum droplets, the mean-field energy is comparable to the Lee-Huang-Yang (LHY) energy. In the Bogoliubov theory, the LHY energy of the quantum droplet has an imaginary part, but it is neglected for practical purposes. So far, most theoretical studies of quantum droplets have been based on the extended Gross-Pitaevskii (GP) equation obtained by adding the LHY energy to the GP equation. In this article, we present the density-functional theory of quantum droplets. In our approach, the quantum fluctuations in quantum droplets, as described by an effective action, generate the correlation energy which is real and can be determined self-consistently. Using the density-functional theory, we calculate higher-order corrections to the energy, the quantum depletion fraction, and the excitations of the droplet. Our results for the ground-state energy and the quantum depletion fraction are compared with the Monte Carlo results and good agreement is found. The implications of our theory are discussed.
Abstract In quantum droplets, the mean-field energy is comparable to the Lee-Huang-Yang (LHY) energy. In the Bogoliubov theory, the LHY energy of a quantum droplet has an imaginary part, which has been neglected in most studies for practical purposes. Thus far, most theoretical studies on quantum droplets have been based on the extended Gross-Pitaevskii (GP) equation, which includes the contribution of the LHY energy to the chemical potential. In this article, we present the density-functional theory of quantum droplets. In our approach, the quantum fluctuations in quantum droplets, as described by an effective action, generate a real correlation energy that can be determined consistently. Using density-functional theory, we calculated the energy, quantum depletion fraction, and excitations of the droplet. Our results for the ground-state energy and quantum depletion fractions were consistent with the Monte Carlo results. We also discuss the implications of our theory.
In a binary quantum droplet, the interspecies attraction dominates over the intraspecies repulsions and the mean-field energy is unstable. The mechanical stability is restored by the repulsive Lee-Huang-Yang (LHY) energy [D. S. Petrov, Phys. Rev. Lett. 115, 155302 (2015)]. In the Bogoliubov theory of the binary quantum droplet, there are two branches of gapless excitations. The lower branch describes the phonon excitation and its energy is imaginary in the long-wavelength limit, implying dynamical instability. Recently, it was found that the phonon energy is renormalized by higher-order quantum fluctuations and the dynamical instability is removed [Q. Gu and L. Yin, Phys. Rev. B 102, 220503(R) (2020)]. In this paper, we study a binary quantum droplet in the path-integral formalism to construct an effective model with the correct phonon energy. By integrating out the upper excitation branch, we obtain an effective single-mode model describing density fluctuations, and derive the extended Gross-Pitaevskii equation (EGPE). In this approach, the LHY energy in the EGPE is purely positive without any assumption of neglecting the imaginary part. This effective single-mode model can be also used outside and close to the quantum droplet region such as in the LHY gas. Based on this effective model, we obtain the phase diagram of a uniform binary Bose system near the mean-field unstable point, which can be tested in experiments.
Abstract The static and dynamic properties of self-bound quantum droplets in a one-dimensional Bose-Bose mixture are discussed in the spirit of the Hartree–Fock-Bogoliubov theory. This latter enables us to provide beyond the Lee-Huang-Yang (LHY) quantum corrections to the equation of state at both zero and finite temperatures. In the uniform case our results for the ground-state energy and the critical temperature are confirmed through comparison with Quantum Monte-Carlo simulation and with available theoretical results. The density profiles are supported by numerical simulations of the generalized Gross-Pitaevskii equation which selfconsistently includes higher-order terms originating from the normal and anomalous fluctuations under the local density approximation. We show that the density exhibits a dip near its center in the flat-top plateau region for large interspecies interactions. We exemplify the impact of the beyond LHY corrections on the spatiotemporal evolution of the self-bound droplet in the presence of excitation induced by periodic density modulation. It is found that higher-order corrections may lead to the formation of a train of small droplets. We then extend our study for the case of inhomogeneous droplets in quasi one-dimensional Bose mixtures.
Quantum fluctuations play a pivotal role in determining the ground state properties and phase transitions of ultra-cold bosonic systems. This study presents a comprehensive theoretical investigation of fluctuation effects beyond mean-field theory in dilute Bose gases, examining their impact on the superfluid–Mott insulator transition, quantum droplet formation, and critical phenomena. Beginning with the Gross–Pitaevskii mean-field framework , we systematically incorporate quantum corrections through Bogoliubov theory, yielding the Lee–Huang–Yang (LHY) energy correction scaling as . The quantum depletion quantifies the fraction of atoms driven from the condensate by zero-point fluctuations. For the Bose–Hubbard model , quantum Monte Carlo simulations establish the superfluid–Mott insulator critical point at , shifted 15% from the mean-field prediction. Critical exponents and confirm 3D XY universality. Quantum droplets in binary mixtures are stabilized by the repulsive LHY correction against mean-field collapse, with equilibrium densities matching experimental observations in K mixtures. Finite-size scaling analysis and the Ginzburg criterion delineate regimes where fluctuation effects dominate. All theoretical predictions are validated against precision measurements in ultracold atomic gases.
We systematically study the effects of higher-order quantum and thermal fluctuations on the stabilization of self-bound droplets in Bose mixtures employing the time-dependent Hartree-Fock-Bogoliubov theory. We calculate the ground-state energy, the droplet equilibrium density, the depletion and anomalous density of the droplets as well as the critical temperature as a function of the relevant parameters. Our findings are compared with previous analytical predictions and diffusion Monte Carlo simulations. We employ our theory together with the local density approximation for quantum and thermal fluctuations to obtain an extended finite-temperature Gross-Pitaevskii equation. The density profiles and breathing modes of the droplet are deeply examined in terms of the interaction strength and the temperature by numerically solving the developed generalized Gross-Pitaevskii equation.
Abstract We define a formalism of a self-consistent description of the ground state of a weakly interacting Bose system, accounting for higher order terms in expansion of energy in the diluteness parameter. The approach is designed to be applied to a Bose–Bose mixture in a regime of weak collapse where quantum fluctuations lead to stabilization of the system and formation of quantum liquid droplets. The approach is based on the generalized Gross–Pitaevskii equation accounting for quantum depletion and renormalized anomalous density terms. The equation is self-consistently coupled to modified Bogoliubov equations. We derive well defined procedure to calculate the zero temperature renormalized anomalous density—the quantity needed to correctly describe the formation of quantum liquid droplet. We pay particular attention to the case of droplets harmonically confined in some directions. The method allows to determine the Lee–Huang–Yang-type contribution to the chemical potential of inhomogeneous droplets when the local density approximation fails.