We study the Bose-Hubbard model with an external harmonic field, which is effective for modeling a cold atomic Bose gas trapped in an optical lattice. We modify the directed-loop algorithm to simulate large systems efficiently. As a demonstration we carry out the simulation of a system consisting of 1. 8 x 10{5} particles on a 64{3} lattice. These numbers are comparable to those in the pioneering experimental work by Greiner [Nature (London) 415, 39 (2002)]. Furthermore, we observe coherence between two superfluid spheres separated by a Mott insulator region in a "wedding-cake" structure.
We study the Bose-Hubbard model with an external harmonic field, which is effective for modeling a cold atomic Bose gas trapped in an optical lattice. We modify the directed-loop algorithm to simulate large systems efficiently. As a demonstration we carry out the simulation of a system consisting of 1. 8 x 10{5} particles on a 64{3} lattice. These numbers are comparable to those in the pioneering experimental work by Greiner [Nature (London) 415, 39 (2002)]. Furthermore, we observe coherence between two superfluid spheres separated by a Mott insulator region in a "wedding-cake" structure.
We use quantum Monte Carlo (QMC) simulations to study the combined effects of harmonic confinement and temperature for bosons in a two-dimensional(2D) optical lattice. The scale-invariant, finite temperature state diagram is presented for the Bose-Hubbard model in terms of experimental parameters -- the particle number, confining potential and interaction strength. To distinguish the nature of the spatially separated superfluid, Mott insulator, and normal Bose liquid phases, we examine the local density, compressibility, superfluid density, and Green's function. In the annular superfluid rings, as the width of the ring decreases, the long-range superfluid correlations start to deviate from an equivalent homogeneous 2D system. At zero temperature, the correlation decay is intermediate between one-dimension and two-dimensions, while at a finite temperature, the decay is similar to that in one-dimension at a much lower temperature. The calculations reveal shortcomings of the local density approximation in describing superfluid properties of trapped bosons. We also present the finite-temperature phase diagram for the homogeneous two dimensional Bose-Hubbard model. We compare our state diagram with the results of a recent experiment at NIST on a harmonically trapped 2D lattice [Phys. Rev. Lett. 105, 110401 (2010)], and identify a finite-temperature effect in the experiment.
We present an extensive study of Mott insulator (MI) and superfluid (SF) shells in Bose-Hubbard (BH) models for bosons in optical lattices with harmonic traps. For this we apply the inhomogeneous mean-field theory developed by Sheshadri et al. [Phys. Rev. Lett. 75, 4075 (1995)]. Our results for the BH model with one type of spinless bosons agree quantitatively with quantum Monte Carlo simulations. Our approach is numerically less intensive than such simulations, so we are able to perform calculations on experimentally realistic, large three-dimensional systems, explore a wide range of parameter values, and make direct contact with a variety of experimental measurements. We also extend our inhomogeneous mean-field theory to study BH models with harmonic traps and (a) two species of bosons or (b) spin-1 bosons. With two species of bosons, we obtain rich phase diagrams with a variety of SF and MI phases and associated shells when we include a quadratic confining potential. For the spin-1 BH model, we show, in a representative case, that the system can display alternating shells of polar SF and MI phases, and we make interesting predictions for experiments in such systems.
We study properties of ultracold bosonic atoms in one-, two-, and three-dimensional optical lattices by large scale quantum Monte Carlo simulations of the Bose-Hubbard model in parabolic confining potentials. Our results indicate that local properties of the atoms can be accessed by probing the system's response to local potential perturbations. Furthermore, we show how the formation of Mott insulating regions is reflected in the momentum distribution of the atoms, amenable to experimental detection. We disprove previous claims concerning the relevance of fine structure in the momentum distribution function. Furthermore, we discuss limitations of local density approximations for confined systems, and demonstrate the absence of quantum criticality due to the inhomogenous potential. Instead, we show that quantum critical behavior can be observed in flat confining potentials. Our results indicate that the experimental detection of the Mott transition in moderately sized optical lattices would be significantly eased in flat confinement potentials.
The objective of this paper is the theoretical description of the Mott insulator to superfluid quantum phase transition of a Bose gas in an optical lattice. In former works the Rayleigh-Schr\"odinger perturbation theory was used within a mean-field approach, which yields partially nonphysical results since the degeneracy between two adjacent Mott lobes is not taken into account. In order to correct such nonphysical results we apply the Brillouin-Wigner perturbation theory to the mean-field approximation of the Bose-Hubbard model. Detailed explanations of how to use the Brillouin-Wigner theory are presented, including a graphical approach that allows one to efficiently keep track of the respective analytic terms. To prove the validity of this computation, the results are compared with other works. Besides the analytic calculation of the phase boundary from Mott insulator to superfluid phase, the condensate density is also determined by simultaneously solving two algebraic equations. The analytical and numerical results turn out to be physically meaningful and can cover a region of system parameters inaccessible until now. Our results are of particular interest provided a harmonic trap is added to the former calculations in a homogeneous system, in view of describing an experiment within the local-density approximation. Thus, the paper represents an essential preparatory work for determining the experimentally observed wedding cake structure of particle-density profile at both finite temperature and finite hopping.
Ultracold atom experiments offer unprecedented potential for the quantitative comparison of quantum many-body effects with theory. This comparison is hindered by the lack of numerical methods capable of dealing with these large inhomogeneous three-dimensional systems. In this paper we demonstrate the applicability of a highly efficient numerical method based on the Gutzwiller approximation for calculating the ground state of the Bose-Hubbard model in the regimes of the recent cold atom experiments. The numerical method is applied to the experimental regime employed by Campbell et al. [Science 314, 281 (2006)], where Mott-insulator shells were directly imaged via atomic clock shifts. We calculate several quantities that are closely related to the current experimental measurement methods: average number distributions, momentum distributions, two-photon spectra, and three-body recombination loss rates. Our results shed light on a number of features of the experimental observations and clarify both the crossover behavior around the superfluid--Mott-insulator transition point and the experimentally observed three-body decay rate of the Mott-insulator shells.
We investigate the one-dimensional Hubbard model with a confining potential, which may describe cold fermionic atoms trapped in an optical lattice. Combining the variational Monte Carlo simulations with the new stochastic reconfiguration scheme proposed by Sorella, we present an efficient method to systematically treat the ground state properties of the confined system with a site-dependent potential. By taking into account intersite correlations as well as site-dependent on-site correlations, we are able to describe the coexistence of the metallic and Mott insulating regions, which is consistent with other numerical results. Several possible improvements of the trial states are also addressed.