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arXiv:1011.4907 · Physical Review A

Finite-temperature density-functional theory of Bose-Einstein condensates

Nathan Argaman, Y. B. Band

Published Feb 18, 2011• 10 citations
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Abstract

The thermodynamic approach to density-functional theory (DFT) is used to derive a versatile theoretical framework for the treatment of finite-temperature (and in the limit, zero-temperature) Bose-Einstein condensates (BECs). The simplest application of this framework, using the overall density of bosons alone, would yield the DFT of Nunes [J. Phys. B 32, 4293 (1999)]. It is argued that a significant improvement in accuracy may be obtained by using additional density fields: the condensate amplitude and the anomalous density. Thus, two advanced schemes are suggested, one corresponding to a generalized two-fluid model of condensate systems, and another scheme, which explicitly accounts for anomalous density contributions and anomalous effective potentials. The latter reduces to the Hartree-Fock-Bogoliubov approach in the limit of weak interactions. For stronger interactions, a local-density approximation is suggested, but its implementation requires accurate data for the thermodynamic properties of uniform interacting BEC systems, including fictitious perturbed states of such systems. Provided that such data become available (e.g., from quantum Monte Carlo computation), DFT can be used to obtain high-accuracy theoretical results for the equilibrium states of BECs of various geometries and external potentials.

DOI
10.1103/physreva.83.023612

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The thermodynamic approach to density-functional theory (DFT) is used to derive a versatile theoretical framework for the treatment of finite-temperature (and in the limit, zero-temperature) Bose-Einstein condensates (BECs). The simplest application of this framework, using the overall density of bosons alone, would yield the DFT of Nunes [J. Phys. B 32, 4293 (1999)]. It is argued that a significant improvement in accuracy may be obtained by using additional density fields: the condensate amplitude and the anomalous density. Thus, two advanced schemes are suggested, one corresponding to a generalized two-fluid model of condensate systems, and another scheme, which explicitly accounts for anomalous density contributions and anomalous effective potentials. The latter reduces to the Hartree-Fock-Bogoliubov approach in the limit of weak interactions. For stronger interactions, a local-density approximation is suggested, but its implementation requires accurate data for the thermodynamic properties of uniform interacting BEC systems, including fictitious perturbed states of such systems. Provided that such data become available (e.g., from quantum Monte Carlo computation), DFT can be used to obtain high-accuracy theoretical results for the equilibrium states of BECs of various geometries and external potentials.
Potential ........................................................................................................... 143 6.7Exchange Density Functional of Homogeneous Systems-–Bosonic Case ..... 150 Keywords ................................................................................................................. 157 6.1 INTRODUCTION The basics of Density Functional Theory (DFT) and of Bose-Einstein Condensation (BEC) are merged such that the DFT enriches with the order parameter equation from the BEC modeling, while BEC acquires the new equation for the condensate density as provided by the DFT Hohenberg-KS analysis. Together, BEC-DFT may constitute as the next level of comprehension in modeling condensed matter in physics and chemical bond in chemistry, in particular, while providing the clue how the unified theory of physical-chemical phenomena should look like (Albus et al., 2003; Argaman and Band, 2011; Brand, 2004; Kim and Vetter, 1997; Nunes, 1999; Putz, 2011d; Zubarev, 2003).
The refinement and the combination of laser cooling and evaporative cooling in dilute systems of alkali atoms lead to the achievement of Bose-Einstein condensation in 1995. Nowadays there is a fruitful interplay between theoretical and experimental results: in this context, the study of uniform Bose gases plays an important role in the comprehension of the static and dynamic properties of a bosonic system. Here we use quantum field theory, within the approach of functional integration, to study an homogeneous system of weakly-interacting bosonic cold atoms. After characterizing their thermodynamical properties, we derive - at a gaussian level - the number density and the superfluid density in three and in two spatial dimensions, expressed as functions of the condensate density and the temperature. Since the equations derived are valid for a generic interaction potential, we implement these formulas for bosons with a zero-range interaction, providing also an extension of these results with the inclusion of a finite-range interaction.
We formulate a bosonic dynamical mean-field theory (B-DMFT) which provides a comprehensive, thermodynamically consistent framework for the theoretical investigation of correlated lattice bosons. The B-DMFT is applicable for arbitrary values of the coupling parameters and temperature and becomes exact in the limit of high spatial dimensions ddd or coordination number ZZZ of the lattice. In contrast to its fermionic counterpart, the construction of the B-DMFT requires different scalings of the hopping amplitudes with ZZZ depending on whether the bosons are in their normal state or in the Bose-Einstein condensate (BEC). A detailed discussion of how this conceptual problem can be overcome by performing the scaling in the action rather than in the Hamiltonian itself is presented. The B-DMFT treats normal and condensed bosons on equal footing and thus includes the effects caused by their dynamic coupling. It reproduces all previously investigated limits in parameter space, such as the Beliaev-Popov and Hartree-Fock-Bogoliubov approximations, and generalizes the existing mean-field theories of interacting bosons. The self-consistency equations of the B-DMFT are those of a bosonic single-impurity coupled to two reservoirs corresponding to bosons in the condensate and in the normal state, respectively. We employ the B-DMFT to solve a model of itinerant and localized, interacting bosons analytically. The local correlations are found to enhance the condensate density and the BEC transition temperature TBEC{T}_{\text{BEC}}TBEC​. This effect may be used experimentally to increase TBEC{T}_{\text{BEC}}TBEC​ of bosonic atoms in optical lattices.
Bose–Einstein condensation (BEC) is discussed at the level of an advanced course of statistical thermodynamics, clarifying some formal and physical aspects that are usually not covered by the standard pedagogical literature. The non-conventional approach adopted starts by showing that the continuum limit, in certain cases, cancels out the crucial role of the bosonic ground level. If so, a correct treatment of the problem, including the ground level population N 0 by construction, leads to BEC in a straightforward way. For a density of states of the form G ( )∝ γ , the chemical potential µ is explicitly calculated as a function of the temperature T and of the number N of bosons, for various significant values of the positive exponent γ. In the thermodynamic limit, in which the boson number N diverges and BEC is a sharp process, the chemical potential µ is a singular function of T at the critical temperature T B , determined by an appropriate critical exponent. The condensate population N 0 is studied analytically and numerically as a function of the temperature, for various values of N and for different γ. This provides an accurate description of the way BEC approaches the character of a sharp phase transition. Some aspects of the real experiments on BEC, involving a finite number of bosons, are also illustrated.
We investigate Bose-Einstein condensation for interacting bosons at zero and nonzero temperature. Functional renormalization provides us with a consistent method to compute the effect of fluctuations beyond the Bogoliubov approximation. For three-dimensional dilute gases, we find an upper bound on the scattering length aaa which is of the order of the microphysical scale---typically the range of the van der Waals interaction. In contrast to fermions near the unitary bound, no strong interactions occur for bosons with approximately pointlike interactions, thus explaining the high quantitative reliability of perturbation theory for most quantities. For zero temperature we compute the quantum phase diagram for bosonic quasiparticles with a general dispersion relation, corresponding to an inverse microphysical propagator with terms linear and quadratic in the frequency. We compute the temperature dependence of the condensate and particle density nnn, and find for the critical temperature Tc{T}_{c}Tc​ a deviation from the free theory, $\ensuremath{\Delta}{T}_{c}/{T}_{c}=2.1a{n}^{1/3}$. For the sound velocity at zero temperature we find very good agreement with the Bogoliubov result, such that it may be used to determine the particle density accurately.
We present a systematic study of dilute three-dimensional dipolar Bose gas employing a finite temperature perturbation theory (beyond the mean field). We analyze in particular the behavior of the anomalous density, we find that this quantity has a finite value in the limit of weak interactions at both zero and finite temperatures. We show that the presence of the dipole–dipole interaction enhances fluctuations, the second order correlation function and thermodynamic quantities such as the chemical potential, the ground state energy, the compressibility and the superfluid fraction. We identify the validity criterion of the small parameter of the theory for Bose-condensed dipolar gases.