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arXiv:1109.1815

Phase diagram of quantum fluids. The role of the chemical potential and the phenomenon of condensation

Vı́ctor Romero-Rochı́n

Published Sep 8, 2011• 0 citations
arXivHTMLPDF

Abstract

We discuss the generic phase diagrams of pure systems that remain fluid near zero temperature. We call this phase a quantum fluid. We argue that the signature of the transition is the change of sign of the chemical potential, being negative in the normal phase and becoming positive in the quantum fluid phase. We show that this change is characterized by a phenomenon that we call condensation, in which a macroscopic number of particles is in their own many-body ground state, a situation common to Fermi and Bose gases. We show that the ideal Bose-Einstein Condensation fits in this scenario, but that it also permits the occurrence of a situation that we may call "Fermi-Dirac Condensation". In addition, we argue that this phenomenon is also behind the development of superfluid phases in real interacting fluids. However, only interacting systems may show the change from a thermal fluid to a quantum one as a true phase transition. As a corollary, this argument shows the necessity of the appearance of a "supersolid" phase. We also indicate how these ideas may be useful in the description of of experiments with ultracold alkali gases.

DOI
10.48550/arxiv.1109.1815

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We discuss the generic phase diagrams of pure systems that remain fluid near zero temperature. We call this phase a quantum fluid. We argue that the signature of the transition is the change of sign of the chemical potential, being negative in the normal phase and becoming positive in the quantum fluid phase. We show that this change is characterized by a phenomenon that we call condensation, in which a macroscopic number of particles is in their own many-body ground state, a situation common to Fermi and Bose gases. We show that the ideal Bose-Einstein Condensation fits in this scenario, but that it also permits the occurrence of a situation that we may call "Fermi-Dirac Condensation". In addition, we argue that this phenomenon is also behind the development of superfluid phases in real interacting fluids. However, only interacting systems may show the change from a thermal fluid to a quantum one as a true phase transition. As a corollary, this argument shows the necessity of the appearance of a "supersolid" phase. We also indicate how these ideas may be useful in the description of of experiments with ultracold alkali gases.
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As was shown by Einstein in 1924, Bose-Einstein statistics gives rise to a phase transition in which a macroscopic part of a gaseous state condenses into a phase with ground state properties, offering a unique view on the behavior of matter at zero temperature. From the very start the nature of Bose-Einstein condensation (BEC) has provoked statements concerning its relation with respect to superconductivity in electron gases (Einstein 1925) and the superfluidity of liquid helium (London 1938), but this connection is not easily grasped experimentally. Remarkably, although the concept of BEC appears routinely in very different contexts, ranging from excitons in semiconductors to nuclear matter, it had never been observed in its pure form, i.e., in a gaseous phase, until in 1995 BEC in ultracold Rb vapor was reported by Cornell and Wieman. Bose-Einstein condensation is probably the most exciting phenomenon currently under experimental investigation in ultracold atomic gases. In the tutorial the physics will be addressed which is at the roots of the current interest of BEC in atomic gases.
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Several microscopic theories point out that Bose-Einstein condensation (BEC), i.e., a macroscopic occupation of the lowest energy single particle state in many-boson systems, may appear also in quantum fluids and solids and that it is at the origin of the phenomenon of superfluidity. Nevertheless, the connection between BEC and superfluidity is still matter of debate, since the experimental evidences indicating a non zero condensate fraction in superfluid helium are only indirect. In the theoretical study of BEC in quantum fluids and solids, perturbative approaches are useless because of the strong correlations between the atoms, arising both from the interatomic potential and from the quantum nature of the system. Microscopic Quantum Monte Carlo simulations provide a reliable description of these systems. In particular, the Path Integral Monte Carlo (PIMC) method is very suitable for this purpose. This method is able to provide exact results for the properties of the quantum system, both at zero and finite temperature, only with the definition of the Hamiltonian and of the symmetry properties of the system, giving an easy picture for superfluidity and BEC in many-boson systems. In this thesis, we apply PIMC methods to the study of several quantum fluids and solids. We describe in detail all the features of PIMC, from the sampling methods to the estimators of the physical properties. We present also the most recent techniques, such as the high-order approximations for the thermal density matrix and the worm algorithm, used in PIMC to provide reliable simulations. We study the liquid phase of condensed 4He, providing unbiased estimations of the one-body density matrix g1(r). We analyze the model for g1(r) used to fit the experimental data, highlighting its merits and its faults. In particular we see that, even if it presents some difficulties in the description of the overall behavior of g1(r), it can provide an accurate estimation of the kinetic energy K and of the condensate fraction n0 of the system. Furthermore, we show that our results for n0 as a function of the pressure are in a good agreement with the most recent experimental results. The study of the solid phase of 4He is the most significant part of this thesis. The recent observation of non classical rotational inertia (NCRI) effects in solid helium has generated big interest in the study of an eventual supersolid phase, characterized at the same time by crystalline order and superfluidity. Nevertheless, until now it has been impossible to give a theoretical model able to describe all the experimental evidences. In this work, we perform PIMC simulations of 4He at high densities, according to different microscopic configurations of the atoms. In commensurate crystals we see that BEC does not appear, our model being able to reproduce the momentum distribution obtained form neutron scattering experiments. In a crystal with vacancies, we have been able to see a transition to a superfluid phase at temperatures in agreement with experimental results if the vacancy concentration is low enough. In amorphous solids, superfluid effects are enhanced but appear at temperatures higher than the experimental estimation for the transition temperature. Finally, we study also metastable disordered configurations in molecular para-hydrogen at low temperature. The aim of this study is to investigate if a Bose liquid other than helium can display superfluidity. Choosing accurately a ¿quantum liquid¿ initial configuration and the dimensions of the simulation box, we have been able to frustrate the formation of the crystal and to calculate the temperature dependence of the superfluid density, showing a transition to a superfluid phase at temperatures close to 1 K.
Bose-Einstein condensation is a unique phase transition in that it is not driven by interparticle interactions, but can theoretically occur in an ideal gas, purely as a consequence of quantum statistics. This chapter addresses the question, ‘ How is this ideal Bose gas condensation modified in the presence of interactions between the particles?’ This seemingly simple question turns out to be surprisingly difficult to answer. Here we outline the theoretical background to this question and discuss some recent measurements on ultracold atomic Bose gases that have sought to provide some answers. Introduction Unlike the vast majority of phase transitions, Bose-Einstein condensation (BEC) is not driven by interparticle interactions but can theoretically occur in an ideal (noninteracting) gas, purely as a consequence of quantum statistics. However, in reality, interactions are needed for a Bose gas to remain close to thermal equilibrium. It is thus interesting to discuss if something close to ideal gas BEC can be observed in a real system and what happens in the vicinity of the BEC transition in the presence of interparticle interactions. These simple questions have not been easy to answer, either theoretically or experimentally. The theoretical foundations for studying the effect of interactions on Bose condensed systems were laid over half a century ago by Bogoliubov [1], Penrose and Onsager [2], and Belieav [3], among others. These works initially focused on zerotemperature properties and were extended to nonzero temperature in the pioneering papers of Lee, Huang, and Yang [4, 5, 6, 7]. At that time, the main experimental system was liquid He-4 in which the inter-particle interactions are strong, making connections with theory difficult. The realisation in 1995 of BEC in weakly interacting ultracold atomic gases [8, 9] thus opened up the possibility to experimentally revisit some of these long-discussed questions. This was further aided by, among other advances, the use of Feshbach resonances to tune the interaction strength in atomic gases [10, 11]. Thus, in the last twenty years the study of ultracold Bose gases has been very successful (see Chapter 3 for an insightful account of selected topics and surprising developments over this exciting period). However, the fact that, until recently, ultracold atoms were confined using harmonic potentials has hindered the study of the BEC transition itself.
Phase transitions are investigated in the Bose-Fermi-Hubbard model in the mean field and hard-core boson approximations for the case of infinitely small fermion transfer and repulsive on-site boson-fermion interaction.The behavior of the Bose-Einstein condensate order parameter and grand canonical potential is analyzed as functions of the chemical potential of bosons at zero temperature.The possibility of change of order of the phase transition to the superfluid phase in the regime of fixed values of the chemical potentials of Bose-and Fermi-particles is established.The relevant phase diagrams are built.