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arXiv:cond-mat/0403306 · Journal of Physics B Atomic Molecular and Optical Physics

Wannier states and Bose–Hubbard parameters for 2D optical lattices

P. B. Blakie, Charles W. Clark

Published Mar 17, 2004• 63 citations
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Abstract

We consider the physical implementation of a 2D optical lattice with schemes involving 3 and 4 light fields. We illustrate the wide range of geometries available to the 3 beam lattice, and compare the general potential properties of the two lattice schemes. Numerically calculating the band structure we obtain the Wannier states and evaluate the parameters of the Bose-Hubbard models relevant to these lattices. Using these results we demonstrate lattices that realize Bose-Hubbard models with 2, 4, or 6 nearest neighbors, and quantify the extent that these different lattices effect the superfluid to Mott-insulator transition.

DOI
10.1088/0953-4075/37/7/002

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•Jan 1, 2009•0 citations
We consider the physical implementation of a 2D optical lattice with schemes involving 3 and 4 light fields. We illustrate the wide range of geometries available to the 3 beam lattice, and compare the general potential properties of the two lattice schemes. Numerically calculating the band structure we obtain the Wannier states and evaluate the parameters of the Bose-Hubbard models relevant to these lattices. Using these results we demonstrate lattices that realize Bose-Hubbard models with 2, 4, or 6 nearest neighbors, and quantify the extent that these different lattices effect the superfluid to Mott-insulator transition.
We discuss the superfluid to Mott insulator transition of an atomic Bose gas in an optical lattice with high filling factors. We show that in this multiband situation, the long-wavelength physics is described by a single-band Bose-Hubbard model. We determine the many-body renormalization of the tunneling and interaction parameters in the effective Bose-Hubbard Hamiltonian, and consider the resulting model at nonzero temperatures. We show that, in particular, for a one- or two-dimensional optical lattice, the Mott-insulator phase is more difficult to realize than anticipated previously.
We study ultracold atoms in an optical lattice with two local minima per unit cell and show that the low-energy states of a multiband Bose-Hubbard (BH) Hamiltonian with only pairwise interactions are equivalent to an effective single-band Hamiltonian with strong three-body interactions. We focus on a double-well optical lattice with a symmetric double well along the xxx axis and single-well structure along the perpendicular directions. Tunneling and two-body interaction energies are obtained from an exact band-structure calculation and numerically constructed Wannier functions in order to construct a BH Hamiltonian spanning the lowest two bands. Our effective Hamiltonian is constructed from the ground state of the NNN-atom Hamiltonian for each unit cell obtained within the subspace spanned by the Wannier functions of the two lowest bands. The model includes hopping between ground states of neighboring unit cells. We show that such an effective Hamiltonian has strong three-body interactions that can be easily tuned by changing the lattice parameters. Finally, relying on numerical mean-field simulations, we show that the effective Hamiltonian is an excellent approximation of the two-band BH Hamiltonian over a wide range of lattice parameters, in both the superfluid and Mott insulator regions.
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.
Superfluid to Mott-insulator transitions in atomic Bose–Einstein condensates (BEC) in optical lattices are investigated for the case of number of atoms per site larger than one. To account for mean field repulsion between the atoms in each well, we construct an orthogonal set of Wannier functions. The resulting hopping amplitude and on-site interaction may be substantially different from those calculated with single-atom Wannier functions. As illustrations of the approach, we consider lattices of various dimensionality and different mean occupations. We find that in three-dimensional optical lattices the correction to the critical lattice depth is significant enough to be measured experimentally even for a small number of atoms. Finally, we discuss the validity of the single-band model.
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.