To analyze the ground-state phase diagram of Bose-Bose mixtures loaded into
d-dimensional hypercubic optical lattices, we perform a strong-coupling power-series expansion in the kinetic energy term (plus a scaling analysis) for the two-species Bose-Hubbard model with onsite boson-boson interactions. We consider both repulsive and attractive interspecies interaction, and obtain an analytical expression for the phase boundary between the incompressible Mott insulator and the compressible superfluid phase up to third order in the hoppings. In particular, we find a re-entrant quantum phase transition from paired superfluid (superfluidity of composite bosons, i.e., Bose-Bose pairs) to Mott insulator and again to a paired superfluid in all one, two, and three dimensions, when the interspecies interaction is sufficiently large and attractive. We hope that some of our results could be tested with ultracold atomic systems.
We investigate the quarter-filled attractive Hubbard model on finite-width cylindrical lattices using exact diagonalization (ED), density-matrix renormalization group (DMRG) and unsupervised machine-learning-based techniques. Analysis of the ground-state energetics, local observables and correlation functions reveals a continuous interaction-driven crossover from weakly correlated fermions to a regime dominated by tightly bound singlet pairs. This crossover originates from the competition between kinetic-energy-driven fermionic itinerancy and interaction-driven onsite pair formation and exhibits behavior consistent with the BCS--BEC crossover in the thermodynamic limit. Hole-binding-energy calculations provide direct energetic evidence for pair formation: the two-hole binding energy remains negative throughout the attractive regime whereas three-hole binding emerges only at sufficiently strong attraction and exhibits pronounced finite-size dependence. To obtain an unbiased characterization of the correlation landscape, we apply principal component analysis (PCA) and uniform manifold approximation and projection (UMAP) to the real-space correlation matrices. PCA reveals a systematic redistribution of correlation variance whereas UMAP identifies a clear separation between weak- and strong-pairing regimes. Both machine-learning-based approaches independently identify the same crossover region inferred from conventional observables while providing an order-parameter-independent characterization of the underlying reorganization of many-body correlations. Finite-size scaling analyses of the pairing structure factor and the leading PCA variance ratio demonstrate that these signatures remain robust with increasing system size.
Ultracold atoms in optical lattices constitute a versatile many-body platform with highly tunable parameters, allowing us to emulate a multitude of complex quantum systems, in the laboratory, even those eluding analytical treatment. In particular, the nonequilibrium dynamics of strongly correlated many-body systems represents one of the most challenging problems of modern quantum physics, with applications ranging from thermalization dynamics and transport properties to the management of correlations and the control of the dynamics. Understanding nonequilibrium phenomena of strongly correlated systems is a formidable task. A very promising route to gain insight into such systems is to examine few-body setups which contain only a few relevant degrees of freedom, yet incorporating the quantum correlations between the particles.
The present dissertation contributes to the understanding of the nonequilibrium dynamics of strongly-correlated quantum many-body systems by exploring systems of few-bosons
− of one or two species
− trapped in optical lattices. The systems are driven out-of-equilibrium either by performing a quench of a Hamiltonian parameter or by considering a time-periodic modulation of the external confinement. In the course of several consecutive works, we showcase different ways to couple the nonequilibrium modes, while unveiling their correlated nature and microscopic origin. To simulate the nonequilibrium dynamics, a sophisticated, highly flexible ab-initio method for numerically solving the time-dependent many-body Schrodinger equation is utilized, namely the Multi-Layer Multi-Configuration Time-Dependent Hartree Method for Atomic Mixtures (ML-MCTDHX).
Within the first part we study in six consecutive works the correlated nonequilibrium dynamics of few-boson systems in one-dimensional finite lattices. Starting from weak interactions, it is shown that a sudden increase of the interaction strength generates a global density-wave tunneling dynamics as well as intrawell breathing and cradle-like excited-band processes. The cradle process is a dipole-like process generated by the quench-induced over-barrier transport and it is one of the central results of the present thesis. Remarkably enough, the interaction quenches couple the density-wave and cradle modes, inducing resonance phenomena between the inter and intrawell dynamics. We further show that the cradle mode is inherently related to the initial delocalization and, following a quench from strong-to-weak interactions, can be excited only for incommensurate setups with filling larger than unity. Alternatively, a sudden ramping down of the lattice depth which favors the spatial delocalization is employed to access the cradle mode for setups with filling smaller than unity. Following a multiple interaction quench protocol, we observe the rise of several lowest-band tunneling modes as well as the cradle and the breathing mode. Besides the cradle mode, all other excited modes are highly tunable possessing different frequencies during and in between the quenches. In the excitation dynamics a monotonic behavior with increasing quench amplitude and a non-linear dependence on the duration of the application of the quenched interaction strength is revealed. Additionally, a periodic population transfer between momenta for quenches of increasing interaction is observed, with a power-law frequency dependence on the quench amplitude. Linear interaction quenches from a superfluid to a Mott-insulator state excite various inter- and intraband tunneling modes. The competition between the quench rate and the interparticle repulsion leads to a resonant dynamical response, at moderate ramp times, being related to avoided-crossings in the many-body eigenspectrum.
The resultant higher-band excitation dynamics is shown to obey an exponential decay possessing two distinct time scales with varying ramp time. Inspecting the crossover from shallow to deep lattices we find that for a diabatic quench the excited-band fraction decreases, while approaching the adiabatic limit it exhibits a nonlinear behavior for increasing height of the potential barrier. Quenching from strong-to-weak interactions leads to a melting of the Mott-insulator and negligible higher-band excitations.
Performing quenches either on the wavevector or the phase of a spatially dependent interaction profile triggers various tunneling channels and a rich excitation dynamics which is amplified for increasing inhomogeneity amplitude. Most importantly, the phase quench is shown to induce a directional transport enabling us to discern, otherwise, energetically degenerate tunneling pathways.
Finally, a periodic population transfer between distinct momenta for quenches of increasing wavevector and a directed occupation of higher momenta following a phase quench is observed. Employing a quench of an additional harmonic trap from strong-to-weak confinement, we find that the competition between the initial localization and the repulsive interaction leads to a resonant response of the system related to avoided-crossings in the many-body eigenspectrum with varying final trap frequency. Furthermore, we show that these avoided-crossings can be utilized to prepare the system in a desired state.
The second part comprises two efforts and is devoted to the study of the nonequilibrium dynamics of finite ultracold bosonic ensembles in periodically driven one-dimensional optical lattices. For a shaken lattice, a wide range of driving frequencies is covered and a resonant behavior of the intrawell dynamics is revealed and found to be related to a rich intraband excitation spectrum.
Moreover, it is shown that for increasing repulsion a strong suppression of the interwell tunneling and an enhanced excitation dynamics occurs. For a vibrating lattice, an additional interaction quench gives rise to admixtures of different excitations in the outer wells, an enhanced breathing in the center and an amplification of the emerging tunneling dynamics. The occurence of multiple resonances between the inter- and intrawell dynamics at different quench amplitudes is revealed, with the position of the resonances being tunable via the driving frequency and thus allowing for further control of the mode coupling in optical lattices.
In the third and final part of this thesis we unravel the quench dynamics of a Bose-Bose and a Bose-Fermi mixture. Utilizing an interspecies interaction quench we cross the miscibility-immiscibility threshold in a harmonically confined Bose-Bose mixture. We show that increasing the interspecies repulsion coefficient results in a filamentation of the density of each species, with the spontaneously generated filaments being strongly correlated and exhibiting domain-wall structures. Strikingly, by following the reverse quench protocol, i.e., upon decreasing the interspecies interaction strength, the formation of multiple dark-antidark solitary waves is observed. These solitary wave structures are found to decay into the many-body environment, soon after their generation in sharp contrast to the predictions of the mean-field approximation. To relate our findings with possible experimental realizations, we simulate, for the first time for binary mixtures, single-shot images showcasing that the growth rate of the variance of a sample of single-shots probes the degree of entanglement inherent in the system. As a next step we investigate the expansion dynamics of a mass balanced Bose-Fermi mixture confined in a one-dimensional optical lattice upon quenching an imposed harmonic trap from strong-to-weak confinement. Tuning the interspecies interaction strength we realize the immiscible and miscible correlated ground state phases. We further show that the system's dynamical response crucially depends on the initial phase and consists of an expansion of each cloud and an interwell tunneling dynamics. Varying the quench amplitude and referring to a fixed phase a multitude of response regimes is unveiled, being richer within the immiscible phase, which are described by distinct expansion strengths and tunneling channels. Finally, in the expansion dynamics a two-body anti-correlated behavior between the predominantly occupied wells is unveiled.
Confined ultracold atoms in optical lattices provide a versatile platform for simulating lattice models of strongly correlated quantum systems, where pairing phenomena and superfluid phases can be explored under controlled conditions. While the crossover between the Bardeen-Cooper-Schrieffer (BCS) phase and the Bose-Einstein condensation (BEC) is well understood in homogeneous systems, spatial confinement breaks translational symmetry and reshapes correlation patterns, making the BCS-BEC identification in trapped geometries challenging and allowing unconventional phases to emerge with no direct analog in homogeneous systems. Here we present a characterization of the BCS-BEC crossover in harmonically confined one-dimensional Fermi-Hubbard chains. Our analysis combines Density Matrix Renormalization Group (DMRG) simulations and entanglement-based diagnostics with effective models describing the formation of tightly bound fermion pairs. This combined approach enables a detailed understanding of how the interplay between interactions and confinement reshapes the crossover, leading to insulating regions coexisting with persistent superfluid correlations. Within this framework, we further introduce conditioned correlation functions whose power-law decay allows a clear distinction between BCS-like and BEC-like regimes. The consistency between the effective descriptions and the numerical DMRG results yields a unified picture of the crossover in harmonically confined geometries.
We investigate the ground state of a few-body Bose-Fermi mixture in a one-dimensional harmonic trap with varying interaction strengths and mass ratio. A bunching-antibunching crossover of the bosonic species for increasing interspecies' repulsion is observed within our fully correlated ab initio studies. Interestingly, this crossover is suppressed if the bosonic repulsion exceeds a critical value which strongly depends on the mass ratio. In order to unveil the physical origin of this crossover, we employ different levels of approximations: while a species mean-field approach can account for the antibunching, only the inclusion of the interspecies correlations can lead to the bunching. We show that these correlations effectively create an induced bosonic interaction, which in turn elucidates the occurrence of the bosonic bunching. Finally, we derive a two-site extended Bose-Hubbard model which reveals the low-energy physics of the bosons for the case of much heavier fermions.
We investigate the ground state of one-dimensional few-atom Bose–Bose mixtures under harmonic confinement throughout the crossover from weak to strong inter-species attraction . The calculations are based on the numerically exact multi-configurational time-dependent Hartree method. For repulsive components, we detail the condition for the formation of a molecular Tonks–Girardeau gas in the regime of intermediate inter-species interactions, and the formation of a molecular condensate for stronger coupling. Beyond a critical inter-species attraction, the system collapses to an overall bound state. Different pathways emerge for unequal particle numbers and intra-species interactions. In particular, for mixtures with one attractive component, this species can be viewed as an effective potential dimple in the trap center for the other, repulsive component.