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arXiv:2110.00283 · Physical Review A

Thermodynamics of a dilute Bose gas: A path-integral Monte Carlo study

G. Spada, Sebastiano Pilati, S. Giorgini

Published Jan 31, 2022• 11 citations
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Abstract

We present precise path-integral Monte Carlo results for the thermodynamics of a homogeneous dilute Bose gas. Pressure and energy are calculated as a function of temperature both below and above the Bose-Einstein transition. Specifically, we address interaction effects, focusing on deviations from the ideal-gas law in the thermodynamic limit. We also calculate the isothermal compressibility and the contact parameter, which provide a clear signature of the role played by interactions. In particular, we obtain indications of a discontinuity of the compressibility at the transition point. To gain physical insight, numerical results are systematically compared with the predictions of first-order Hartree-Fock and second-order Popov theories, both giving an approximate description of the gas thermodynamics. The comparison shows the extension of the critical region around the transition point, where the inaccuracies of the perturbative expansions are more pronounced.

DOI
10.1103/physreva.105.013325

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We present precise path-integral Monte Carlo results for the thermodynamics of a homogeneous dilute Bose gas. Pressure and energy are calculated as a function of temperature both below and above the Bose-Einstein transition. Specifically, we address interaction effects, focusing on deviations from the ideal-gas law in the thermodynamic limit. We also calculate the isothermal compressibility and the contact parameter, which provide a clear signature of the role played by interactions. In particular, we obtain indications of a discontinuity of the compressibility at the transition point. To gain physical insight, numerical results are systematically compared with the predictions of first-order Hartree-Fock and second-order Popov theories, both giving an approximate description of the gas thermodynamics. The comparison shows the extension of the critical region around the transition point, where the inaccuracies of the perturbative expansions are more pronounced.
We investigate the thermodynamic properties of a dilute Bose gas in a correlated random potential using exact path integral Monte Carlo methods. The study is carried out in continuous space and disorder is produced in the simulations by a three-dimensional (3D) speckle pattern with tunable intensity and correlation length. We calculate the shift of the superfluid transition temperature due to disorder and we highlight the role of quantum localization by comparing the critical chemical potential with the classical percolation threshold. The equation of state of the gas is determined in the regime of strong disorder, where superfluidity is suppressed and the normal phase exists down to very low temperatures. We find a T 2 dependence of the energy in agreement with the expected behavior in the Bose glass phase. We also discuss the major role played by the disorder correlation length and we make contact with a Hartree–Fock mean-field approach that holds if the correlation length is very large. The density profiles are analyzed as a function of temperature and interaction strength. Effects of localization and the depletion of the order parameter are emphasized in the comparison between local condensate and total density. At very low temperature, we find that the energy and the particle distribution of the gas are very well described by the T =0 Gross–Pitaevskii theory, even in the regime of very strong disorder.
By using exact path-integral Monte Carlo methods we calculate the equation of state of an interacting Bose gas as a function of temperature both below and above the superfluid transition. The universal character of the equation of state for dilute systems and low temperatures is investigated by modeling the interatomic interactions using different repulsive potentials corresponding to the same sss-wave scattering length. The results obtained for the energy and the pressure are compared to the virial expansion for temperatures larger than the critical temperature. At very low temperatures we find agreement with the ground-state energy calculated using the diffusion Monte Carlo method.
Using a finite-temperature path integral Monte Carlo simulation (PIMC) method and finite-size scaling, we have investigated the interaction-induced shift of the phase-transition temperature for Bose-Einstein condensation of homogeneous weakly interacting Bose gases in three dimensions, which is given by a proposed analytical expression ${T}_{c}={T}_{c}^{0}{1+{c}_{1}a{n}^{1∕3}+[{c}_{2}^{\ensuremath{'}}\phantom{\rule{0.2em}{0ex}}\mathrm{ln}(a{n}^{1∕3})+{c}_{2}^{\ensuremath{''}}]{a}^{2}{n}^{2∕3}+\mathrm{O}({a}^{3}n)}$, where Tc0{T}_{c}^{0}Tc0​ is the critical temperature for an ideal gas, aaa is the sss-wave scattering length, and nnn is the number density. We have used smaller number densities and more time slices than in the previous PIMC simulations [Gruter et al., Phys. Rev. Lett. 79, 3549 (1997)] in order to understand the difference in the value of the coefficient c1{c}_{1}c1​ between their results and the (apparently) other reliable results in the literature. Our results show that ${({T}_{c}\ensuremath{-}{T}_{c}^{0})∕{T}_{c}^{0}}∕(a{n}^{1∕3})$ depends strongly on the interaction strength an1∕3a{n}^{1∕3}an1∕3 while the previous PIMC results are considerably flatter and smaller than our results. We obtain ${c}_{1}=1.32\ifmmode\pm\else\textpm\fi{}0.14$, in agreement with results from recent Monte Carlo methods of three-dimensional O(2) scalar ${\ensuremath{\phi}}^{4}$ field theory and variational perturbation theory.
This article reviews recent advances in the theory of the three-dimensional dilute homogeneous Bose gas at zero and finite temperature. Effective-field-theory methods are used to formulate a systematic perturbative framework that can be used to calculate the properties of a system at T=0.T=0.T=0. The perturbative expansion of these properties is essentially an expansion in the gas parameter na3,\sqrt{{\mathrm{na}}^{3}},na3​, where aaa is the sss-wave scattering length and nnn is the number density. In particular, the leading quantum corrections to the ground-state energy density, the condensate depletion, and long-wavelength collective excitations are rederived in an efficient and economical manner. Nonuniversal effects are also discussed. These effects are higher-order corrections that depend on properties of the interatomic potential other than the scattering length, such as the effective range. The article critically examines various approaches to the dilute Bose gas in equilibrium at finite temperature. These include the Bogoliubov approximation, the Popov approximation, the Hartree-Fock-Bogoliubov approximation, the \ensuremath{\Phi}-derivable approach, optimized perturbation theory, and renormalization-group techniques. The article ends with a look at recent calculations of the critical temperature of the dilute Bose gas, which include 1/N1/N1/N techniques, lattice simulations, self-consistent calculations, and variational perturbation theory.
We discuss the thermodynamics of a nonrelativistic gas of bosons with a local repulsive interaction. In particular, we compute the temperature and density dependences of pressure, energy and entropy densities, superfluid and condensate fractions, correlation length, specific heat, isothermal and adiabatic compressibilities, and various sound velocities. The $T\ensuremath{\rightarrow}0$ limit approaches the quantum phase transition, while the universal critical behavior of a classical second-order phase transition in the O(2) universality class determines the region around the critical temperature. Our nonperturbative flow equations based on exact functional renormalization cover all regions in the phase diagram.
We discuss certain specific features of the calculation of the critical temperature of a dilute repulsive Bose gas. Interactions modify the critical temperature in two different ways. First, for gases in traps, temperature shifts are introduced by a change of the density profile, arising itself from a modification of the equation of state of the gas (reduced compressibility); these shifts can be calculated simply within mean field theory. Second, even in the absence of a trapping potential (homogeneous gas in a box), temperature shifts are introduced by the interactions; they arise from the correlations introduced in the gas, and thus lie inherently beyond mean field theory – in fact, their evaluation requires more elaborate, non-perturbative, calculations. One illustration of this non-perturbative character is provided by the solution of self-consistent equations, which relate together non-linearly the various energy shifts of the single particle levels k . These equations predict that repulsive interactions shift the critical temperature (at constant density) by an amount which is positive, and simply proportional to the scattering length a ; nevertheless, the numerical coefficient is difficult to compute. Physically, the increase of the temperature can be interpreted in terms of the reduced density fluctuations introduced by the repulsive interactions, which facilitate the propagation of large exchange cycles across the sample.