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arXiv:1303.4608 · Physical Review E

Momentum distribution functions in ensembles: The inequivalence of microcannonical and canonical ensembles in a finite ultracold system

Pei Wang, Gao Xianlong, Haibin Li

Published Aug 9, 2013• 0 citations
arXivHTMLPDF

Abstract

It is demonstrated in many thermodynamic textbooks that the equivalence of the different ensembles is achieved in the thermodynamic limit. In this present work we discuss the inequivalence of microcanonical and canonical ensembles in a finite ultracold system at low energies. We calculate the microcanonical momentum distribution function (MDF) in a system of identical fermions (bosons). We find that the microcanonical MDF deviates from the canonical one, which is the Fermi-Dirac (Bose-Einstein) function, in a finite system at low energies where the single-particle density of states and its inverse are finite.

DOI
10.1103/physreve.88.022113

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It is demonstrated in many thermodynamic textbooks that the equivalence of the different ensembles is achieved in the thermodynamic limit. In this present work we discuss the inequivalence of microcanonical and canonical ensembles in a finite ultracold system at low energies. We calculate the microcanonical momentum distribution function (MDF) in a system of identical fermions (bosons). We find that the microcanonical MDF deviates from the canonical one, which is the Fermi-Dirac (Bose-Einstein) function, in a finite system at low energies where the single-particle density of states and its inverse are finite.
For many-particle quantum systems, calculating thermodynamic quantities in the canonical ensemble is a very hard task, while this is tractable in the grand canonical ensemble.The second ensemble is then used.The results are supposed to be the same, at least in the thermodynamic limit.Is this actually the case?In this work, we consider a system of N noninteracting bosons distributed among few energy levels.We can calculate the canonical partition function in this case and deduce the canonical mean energy.We compare it to the mean energy deduced from the grand canonical ensemble for the same number of particles.We consider the case of a large number of particles.
Abstract Chapter 6 introduces quantum-mechanical ensemble theory by proving the asymptotic equivalence of the quantum-mechanical, microcanonical ensemble average with the quantum grand canonical ensemble average for many-particle systems, based on the method of Darwin and Fowler. The procedures involved identify the grand partition function, entropy and other statistical thermodynamic variables, including the grand potential, Helmholtz free energy, thermodynamic potential, Gibbs free energy, Enthalpy and their relations in accordance with the fundamental laws of thermodynamics. Accompanying saddle-point integrations define temperature (inverse thermal energy) and chemical potential (Fermi energy). The concomitant emergence of quantum statistical mechanics and Bose–Einstein and Fermi–Dirac distribution functions are discussed in detail (including Bose condensation). The magnetic moment is derived from the Helmholtz free energy and is expressed in terms of a one-particle retarded Green’s function with an imaginary time argument related to inverse thermal energy. This is employed in a discussion of diamagnetism and the de Haas-van Alphen effect.
Abstract Chapter 11 presents a statistical mechanical treatment of the quantum ideal gases, i.e., the ideal Boltzmann, fermion, and boson gases. The discussion begins with the microscopic description and the solution of the eigenvalue problem for a quantum ideal gas. It is argued that calculating the partition function is most readily accomplished in the grand canonical ensemble using a second-quantized formulation. When the particles are distinguishable, the equation of state is identical to that of a classical ideal gas. For fermions and bosons, however, the problem of computing thermodynamic properties is significantly more complex and can only be solved exactly in certain limits. Away from these limits approximations are needed and are discussed in detail. The relevant distributions - the Fermi-Dirac and Bose-Einstein distributions are derived. The local density approximation of density functional theory is derived for the ideal electron gas. For the ideal boson gas, the phenomenon of Bose-Einstein condensation is discussed
Ensemble inequivalence, where a system's thermodynamic properties depend on the statistical ensemble used to describe it, is a well-established phenomenon in classical systems with long-range interactions. Here, we present a detailed analysis of a quantum ferromagnet spin model that exhibits this same behavior. We find that the microcanonical and canonical phase diagrams are identical at zero temperature ( T = 0 ), but differ significantly at finite temperatures. Our results highlight a breakdown of ensemble equivalence in this quantum long-range model, contrasting with what is observed for short range. These findings have important implications for the study and manipulation of long-range interacting quantum platforms, such as those used in atomic, molecular, and optical physics.
Ensemble inequivalence, i.e., the possibility of observing different thermodynamic properties depending on the statistical ensemble which describes the system, is one of the hallmarks of long-range physics, which has been demonstrated in numerous classical systems. Here, an example of ensemble inequivalence of a long-range quantum ferromagnet is presented. While the T=0 microcanonical quantum phase-diagram coincides with that of the canonical ensemble, the phase diagrams of the two ensembles are different at finite temperature. This is in contrast with the common lore of statistical mechanics of systems with short-range interactions where thermodynamic properties are bound to coincide for macroscopic systems described by different ensembles. The consequences of these findings in the context of atomic, molecular, and optical setups are delineated.
We investigate eigenstate thermalization from the point of view of vanishing particle and heat currents between a few-body fermionic Hamiltonian prepared in one of its eigenstates and an external, weakly coupled Fermi-Dirac gas. The latter acts as a thermometric probe, with its temperature and chemical potential set so that there is neither particle nor heat current between the two subsystems. We argue that the probe temperature can be attributed to the few-fermion eigenstate in the sense that (i) it varies smoothly with energy from eigenstate to eigenstate, (ii) it is equal to the temperature obtained from a thermodynamic relation in a wide energy range, (iii) it is independent of details of the coupling between the two systems in a finite parameter range, (iv) it satisfies the transitivity condition underlying the zeroth law of thermodynamics, and (v) it is consistent with Carnot's theorem. For the spinless fermion model considered here, these conditions are essentially independent of the interaction strength. When the latter is weak, however, orbital occupancies in the few-fermion system differ from the Fermi-Dirac distribution so that partial currents from or to the probe will eventually change its state. We find that (vi) above a certain critical interaction strength, orbital occupancies become close to the Fermi-Dirac distribution, leading to a true equilibrium between the few-fermion system and the probe. In that case, the coupling between the Fermi-Dirac gas and few-fermion system does not modify the state of the latter, which justifies our approach a posteriori. From these results, we conjecture that for few-body systems with sufficiently strong interaction, the eigenstate thermalization hypothesis is complemented by ensemble equivalence: individual many-body eigenstates define a microcanonical ensemble that is equivalent to a canonical ensemble with grand canonical orbital occupancies.