Experiments with ultracold atoms in optical lattice have become a versatile testing ground to study diverse quantum many-body Hamiltonians. A single-band Bose-Hubbard (BH) Hamiltonian was first proposed to describe these systems in 1998 and its associated quantum phase-transition was subsequently observed in 2002. Over the years, there has been a rapid progress in experimental realizations of more complex lattice geometries, leading to more exotic BH Hamiltonians with contributions from excited bands, and modified tunneling and interaction energies. There has also been interesting theoretical insights and experimental studies on “un- conventional” Bose-Einstein condensates in optical lattices and predictions of rich orbital physics in higher bands. In this thesis, I present our results on several multi- band BH models and emergent quantum phenomena. In particular, I study optical lattices with two local minima per unit cell and show that the low energy states of a multi-band BH Hamiltonian with only pairwise interactions is equivalent to an effec- tive single-band Hamiltonian with strong three-body interactions. I also propose a second method to create three-body interactions in ultracold gases of bosonic atoms in a optical lattice. In this case, this is achieved by a careful cancellation of two contributions in the pair-wise interaction between the atoms, one proportional to the zero-energy scattering length and a second proportional to the effective range. I subsequently study the physics of Bose-Einstein condensation in the second band of a double-well 2D lattice and show that the collision aided decay rate of the con- densate to the ground band is smaller than the tunneling rate between neighboring unit cells. Finally, I propose a numerical method using the discrete variable repre- sentation for constructing real-valued Wannier functions localized in a unit cell for optical lattices. The developed numerical method is general and can be applied to a wide array of optical lattice geometries in one, two or three dimensions.
Cold atoms in optical lattices allow for accurate studies of many body dynamics. Rapid time-dependent modifications of optical lattice potentials may result in significant excitations in atomic systems. The dynamics in such a case is frequently quite incompletely described by standard applications of tight-binding models (such as, e.g., Bose-Hubbard model or its extensions) that typically neglect the effect of the dynamics on the transformation between the real space and the tight-binding basis. We illustrate the importance of a proper quantum mechanical description using a multiband extended Bose-Hubbard model with time-dependent Wannier functions. We apply it to situations directly related to experiments.
In this thesis, the physics of trapped, interacting Bose-Einstein condensates is analyzed by solving the many-body Schrödinger equation. Particular emphasis is put on coherence, fragmentation and reduced density matrices. First, the ground state of a trapped Bose-Einstein condensate and its correlation functions are obtained. Then the dynamics of a bosonic Josephson junction is investigated by solving the time-dependent many-body Schrödinger equation numerically exactly. These are the first exact results in literature in this context. It is shown that the standard approximations of the field, Gross-Pitaevskii theory and the Bose-Hubbard model fail at weak interaction strength and within their range of expected validity. For stronger interactions the dynamics becomes strongly correlated and a new equilibration phenomenon is discovered. By comparison with exact results it is shown that a symmetry of the Bose-Hubbard model between attractive and repulsive interactions must be considered an artefact of the model. A conceptual innovation of this thesis are time-dependent Wannier functions. Equations of motion for time-dependent Wannier functions are derived from the variational principle. By comparison with exact results it is shown that lattice models can be greatly improved at little computational cost by letting the Wannier functions of a lattice model become time-dependent.
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.
In systems with periodic potential fields, building relatively local Wannier functions can significantly simplify the Hamiltonian and enhance our understanding of the system's ground state and dynamic properties. In this work, we improve the current method of building the Wannier functions of ultracold atomic systems, including the case in the presence or absence of interactions. In noninteracting systems, we propose a method to directly obtain the real-valued maximally localized Wannier functions (MLWFs) by using real-valued eigenstates, and verify the effectiveness of this method in a two-dimensional (2D) degenerate system. In interacting systems, we obtain the effect of high-energy bands on the lowest-energy band by using the accurate calculation results of the two-particle system. In the two-particle system, we consider the effect of the entanglement between the particles and obtain the optimal two-particle Wannier functions. These Wannier functions are then further utilized to obtain the parameters of the extended Bose-Hubbard model. The effectiveness of the method is verified by taking a one-dimensional (1D) system with contact interaction as an example. In the three-particle and four-particle systems, compared calculation results with the original system and the unmodified two-band Bose-Hubbard model, we find that the effective Hamiltonian is more accurate than the unmodified two-band model. This verifies the effectiveness of our method, and the parameters obtained can reflect the original system well, which provides an effective method for accurate modeling of interacting systems.
Recent experiments revealed the importance of higher-band effects for the Mott-insulator(MI)--superfluid transition(SF) of ultracold bosonic atoms or mixtures of bosons and fermions in deep optical lattices [Best et al., Phys. Rev. Lett. 102, 030408 (2009); Will et al., Nature (London) 465, 197 (2010)]. In the present work we derive an effective lowest-band Hamiltonian in three dimensions that generalizes the standard Bose-Fermi-Hubbard model taking these effects as well as nonlinear corrections of the tunneling amplitudes mediated by interspecies interactions into account. It is shown that a correct description of the lattice states in terms of the bare-lattice Wannier functions, rather than approximations such as harmonic-oscillator states, is essential. In contrast to self-consistent approaches based on effective Wannier functions, our approach captures the observed reduction of the superfluid phase for repulsive interspecies interactions.