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Lowest order constrained variational approximation for ultracold Bose-Fermi mixtures

Cordioli, Pietro

Published Jul 24, 2025• 0 citations
OpenAlex

Abstract

In this thesis, we investigate ultracold Bose-Fermi mixtures in both two and three dimensions using a non-perturbative approach based on the Lowest Order Constrained Variational (LOCV) method. This variational technique, originally developed in the context of nuclear matter, is applied here to dilute quantum gases at zero temperature, allowing for an accurate treatment of two-body correlations beyond perturbative limits. We begin by analysing Bose-Fermi mixtures near a broad Fano-Feshbach resonance, which enables precise tuning of the interspecies interaction strength. Particular attention is devoted to the low-dimensional case, where quantum fluctuations are enhanced and experimental realizations have become increasingly accessible. While the three-dimensional problem serves as a useful benchmark, the two-dimensional Bose-Fermi mixture presents unique challenges. Notably, no prior non-perturbative studies exist on its mechanical stability. A central goal of this work is to determine the conditions under which the 2D Bose-Fermi mixture remains mechanically stable as the boson-fermion attraction is increased. Our results demonstrate that the LOCV approach captures the relevant physics from weak to moderate coupling, offering a complementary perspective to perturbative methods or alternative non-perturbative approaches such as the T-matrix formalism. In this coupling range, we identify the critical strength of boson-boson repulsion necessary to prevent phase separation or collapse, thereby providing the first theoretical variational prediction of a stability phase diagram in this two dimensional regime. Overall, this work fills a gap in the literature and provides a useful reference point for future theoretical and experimental studies of strongly interacting Bose-Fermi systems in reduced dimensionality.

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In this thesis, we investigate ultracold Bose-Fermi mixtures in both two and three dimensions using a non-perturbative approach based on the Lowest Order Constrained Variational (LOCV) method. This variational technique, originally developed in the context of nuclear matter, is applied here to dilute quantum gases at zero temperature, allowing for an accurate treatment of two-body correlations beyond perturbative limits. We begin by analysing Bose-Fermi mixtures near a broad Fano-Feshbach resonance, which enables precise tuning of the interspecies interaction strength. Particular attention is devoted to the low-dimensional case, where quantum fluctuations are enhanced and experimental realizations have become increasingly accessible. While the three-dimensional problem serves as a useful benchmark, the two-dimensional Bose-Fermi mixture presents unique challenges. Notably, no prior non-perturbative studies exist on its mechanical stability. A central goal of this work is to determine the conditions under which the 2D Bose-Fermi mixture remains mechanically stable as the boson-fermion attraction is increased. Our results demonstrate that the LOCV approach captures the relevant physics from weak to moderate coupling, offering a complementary perspective to perturbative methods or alternative non-perturbative approaches such as the T-matrix formalism. In this coupling range, we identify the critical strength of boson-boson repulsion necessary to prevent phase separation or collapse, thereby providing the first theoretical variational prediction of a stability phase diagram in this two dimensional regime. Overall, this work fills a gap in the literature and provides a useful reference point for future theoretical and experimental studies of strongly interacting Bose-Fermi systems in reduced dimensionality.
We investigate the problem of mechanical stability in two-dimensional Bose-Fermi mixtures at zero temperature, focusing on systems with a tunable Bose-Fermi (BF) interaction and a weak but finite boson-boson (BB) repulsion. The analysis is carried out within the framework of the lowest-order constrained variational (LOCV) approach, which allows for a nonperturbative treatment of strong interspecies correlations while retaining analytical transparency. The BF interaction is modeled by a properly regularized attractive contact potential, enabling the exploration of both the attractive and repulsive energy branches. We determine the minimal BB repulsion required to ensure mechanical stability of the mixture by evaluating the inverse compressibility matrix over the full range of BF coupling strengths, within the domain of validity of the LOCV approximation. The interaction contribution to the energy is benchmarked against available experimental data and quantum Monte Carlo results in the single-impurity limit, showing good agreement. Our analysis reveals how the critical BB coupling depends on interaction strength, density imbalance, and mass ratio. In particular, we find that mixtures with equal boson and fermion masses exhibit enhanced stability, requiring the smallest BB repulsion to prevent mechanical instability. In this case, a relatively small BB interaction is sufficient to stabilize attractive mixtures for all values of the BF interaction. These results provide a theoretical framework for assessing stability conditions in experimentally realizable two-dimensional Bose-Fermi mixtures with tunable interactions.
We study theoretically the phase diagram of strongly coupled two-dimensional Bose-Fermi mixtures interacting with attractive short-range potentials as a function of the particle densities. We focus on the limit where the size of the bound state between a boson and a fermion is small compared to the average interboson separation and develop a functional-renormalization-group approach that accounts for the bound-state physics arising from the extended Fr\"ohlich Hamiltonian. By including three-body correlations we are able to reproduce the polaron-to-molecule transition in two-dimensional Fermi gases in the extreme limit of vanishing boson density. We predict frequency- and momentum-resolved spectral functions and study the impact of three-body correlations on quasiparticle properties. At finite boson density, we find that when the bound-state energy exceeds the Fermi energy by a critical value, the fermions and bosons can form a fermionic composite with a well-defined Fermi surface. These composites constitute a Fermi sea of dressed Feshbach molecules in the case of ultracold atoms, while in the case of atomically thin semiconductors a trion liquid emerges. As the boson density is increased further, the effective energy gap of the composites decreases, leading to a transition into a strongly correlated phase where polarons are hybridized with molecular degrees of freedom. We highlight the universal connection between two-dimensional semiconductors and ultracold atoms, and we discuss perspectives for further exploring the rich structure of strongly coupled Bose-Fermi mixtures in these complementary systems.
In this thesis we present a detailed investigation of the role played by quantum and thermal fluctuations in ultracold Bose gases. We begin with a review of several important concepts and analytical tools within a functional integration formalism. We first focus on the so-called zero-range approximation for the interaction potential, by recovering the Bogoliubov results and the Landau two-fluid model from a field-theory perspective. In deriving the beyond-mean-field equation of state, we are going to show that a crucial point concerns the proper regularization of the divergent zero-point energy. Among the alternative approaches to investigate finite-temperatures Bose gases, we apply the kinetic theory to explain some recent results on the sound propagation in two-dimensional Bose gases. We then move to consider the eventual corrections to the thermodynamics of Bose gases due to the finite-range character of the interaction potential. The coupling constants of the finite-range model are related to measurable scattering parameters through an effective-field-theory approach. The role of finite-range corrections is considered not only in three spatial dimensions but also in systems with lower dimensionalities. Our analytical predictions are in good agreement with available Monte Carlo simulations and consistent with other theoretical frames, as the Lieb-Lininger theory for one-dimensional systems. In the third chapter, the relevance of fluctuations is investigated from an alternative point of view. Indeed, for a single-component Bose gas we have actually considered their effect as deviations of thermodynamic quantities from the mean-field and zero-range picture. In the case of collapsing Bose mixtures, we are going to show that zero-temperature fluctuations play a crucial stabilizing role against the collapse instability. Because of this peculiar mechanism, ultracold mixtures can display finite-density configurations also in free space. Inspired by recent experiments, we characterize this novel self-bound state by comparison with bright solitons, following a variational scheme. We also consider the case of binary mixtures where a coherent internal coupling is turned on. In the last chapter, we move to deal with dipolar condensates. In particular, we are interested in beyond-mean-field effects leading to the formation of inhomogeneous ground states. In order to provide a reliable answer to the open issue of superfluid properties of these structures, we present our recent numerical investigation on the phase diagram of dipolar bosons.
In this thesis, we investigated the physics of two- and three-dimensional ultra cold Bose gases in the strongly interacting regime at zero temperature. This regime can be experimentally accessed using a Feshbach resonance. We applied a self-consistent diagrammatic approach to determine the chemical potential of three-dimensional Bose gases for a wide range of interaction values. We showed that such strongly interacting Bose gases become unstable towards the formation of molecules at a finite positive scattering length. In fact, the interaction between atoms becomes effectively attractive and the system looses its metastability before reaching the unitary limit. We also found that such systems are nearly fermionized close to the instability point. Near this critical point, the chemical potential reaches a maximum and the contribution to the system energy due to three-body forces is estimated to be only a few percent. We also studied the same system using a self-consistent renormalization group method. This approach confirms the existence of an instability point towards the formation of molecules as well as fermionization. We showed that the instability and accompanying maximum are precursors of the sign change of the effective two-body interaction strength from repulsive to attractive near resonance. In addition, we examined the physics of two-dimensional Bose gases near resonance using a similar self-consistent diagrammatic approach as the one introduced for three-dimensional Bose gases. We demonstrated that a competition between three-body attractive interactions and two-body repulsive forces results in the chemical potential of two-dimensional Bose gases to exhibit a maximum at a critical scattering length beyond which these quantum gases possess a negative compressibility. For larger scattering lengths, the increasingly prominent role played by three-body attractive interactions leads to an onset instability at a second critical value. The three-body effects studied for these systems are universal, fully characterized by the effective two-dimensional scattering length and are, in comparison to the three-dimensional case, independent of three-body ultraviolet physics.
Ultracold atomic systems have been of great theoretical and experimental interest in the past few decades.They provide ideal paradigms to study quantum phenomena, simulate condensed matter systems, and could potentially become a platform for quantum computations.This thesis focuses on the theoretical investigation of universal and non-universal properties of ultracold few-atom systems.The goal of this thesis is to answer or provide insights into several interesting open questions.First, what is the role of the non-universal three-body parameter in weakly-interacting harmonically trapped Bose gases and at which order does it kick in?Second, how large is the ground state energy of small two-component Fermi gases with infinitely strong interactions compared to their non-interacting counterparts?Lastly, what is the interplay between the spin-orbit coupling and the s-wave two-body interaction and how does it affect the energy spectrum of the two-atom system?In order to answer these questions, we develop and employ different analytical and numerical techniques.A perturbative effective field theory treatment to study the weaklyinteracting trapped Bose gas is employed.The treatment is extended to up to fourth-order perturbation theory and techniques to regularize the diverging sums are developed.A logarithmic divergence in the three-body sector is identified and the need for a non-universal three-body parameter is shown.v The explicitly correlated Gaussian method is used to calculate the ground state energy of small trapped two-component Fermi gases with up to ten particles.A code is developed from scratch and parallelized.An improved optimization scheme is developed.A novel technique to remove the finite-range dependence is proposed and tested.Our calculations serve as benchmarks for other numerical techniques.The explicitly correlated Gaussian method is extended to treat systems with periodic boundary conditions for the first time.Standard perturbation theory is used to treat the spin-orbit coupling term in trapped two-atom systems.Our treatment is based on the exact two-body zero-range solution in the trap.The interplay between the spin-orbit coupling and the two-body s-wave interaction is investigated and shown to have a great impact on the energy spectrum for certain parameter combinations.
We investigate the mechanical stability of Bose-Fermi mixtures at zero temperature in the presence of a tunable Feshbach resonance, which induces a competition between boson condensation and boson-fermion pairing when the boson density is smaller than the fermion density. Using a many-body diagrammatic approach validated by fixed-node Quantum Monte Carlo calculations and supported by recent experimental observations, we determine the minimal amount of boson-boson repulsion required to guarantee the stability of the mixture across the entire range of boson-fermion interactions from weak to strong coupling. Our stability phase diagrams indicate that mixtures with boson-to-fermion mass ratios near two, such as the ^{87} 87 Rb- ^{40} 40 K system, exhibit optimal stability conditions. Moreover, by applying our results to a recent experiment with a ^{23} 23 Na- ^{40} 40 K mixture, we find that the boson-boson repulsion was insufficient to ensure stability, suggesting that the experimental timescale was short enough to avoid mechanical collapse. On the other hand, we also show that even in the absence of boson-boson repulsion, Bose-Fermi mixtures become intrinsically stable beyond a certain coupling strength, preceding the quantum phase transition associated with the vanishing of the bosonic condensate. We thus propose an experimental protocol for observing this quantum phase transition in a mechanically stable configuration.