Ab-Initio Quantum Phase Diagrams of Ultracold Atomic Gases in Optical Lattices

Ultracold atomic gases in optical lattices provide an unique framework to study quantum phenomena in strongly correlated systems. In addition to the precise control over all relevant parameters in the experiment, these experiments can be mapped to a fundamental model from solid-state physics. For the bosonic version of this model, the so-called Bose-Hubbard model, a phase transition from a superfluid to a Mott insulator was theoretically predicted and later experimentally observed in an ultracold gas of Rb-87 atoms in three-dimensional as well as in one-dimensional optical lattices. Apart from homogeneous optical lattices one can introduce more complex lattice topologies such as two-color superlattices which give rise to a rich phase diagram including more exotic phases like the Bose-glass. We employ various powerful many-body techniques like exact diagonalization in complete and truncated Hilbert spaces and the Density-Matrix Renormalization Group (DMRG) algorithm to study the phase diagrams of the one-dimensional Bose-Hubbard and the one-dimensional Bose-Fermi-Hubbard Hamiltonian. Most theoretical studies of these systems discuss the phase diagrams with respect to the generic parameters of the Hubbard model. These Hubbard parameters, however, depend non-trivially on the control parameters used in experiments. The focus of this work is on the ab-initio calculation of the phase diagram of ultracold Rb-87 in one-dimensional optical superlattices starting directly from the experimental setup. To this end, we first employ band-structure calculations to extract the Hubbard parameters from the experimental parameters. Then, we use state-of-the-art DMRG techniques to solve the many-body problem for realistic particle numbers and lattice sizes that occur in experiments. Our results show that by using the intensities of the two laser fields forming the two-color superlattice as control parameters while keeping all other experimental parameters fixed, it is possible to access all relevant quantum phases of the system. Furthermore, we found out that the critical values of the laser intensities for the different phase transitions depend strongly on a third parameter that has to be included for a realistic description of the experiment. This third parameter is the strength of a harmonic trapping potential which accounts for the Gaussian shape of the laser fields and an additional magnetic potential used to confine the atoms in the center of the trap