Beautiful experiments have shown that bosons in optical lattices provide a physical system with an unprecedented degree of control; that they can generate strongly correlated states; and that, as long-term goals, they may be useful for simulating other many-body systems, or realising a quantum computer. Recently a practical scheme for measuring temperature in an optical lattice has been demonstrated, which marks an important milestone necessary for the detailed study of the thermodynamics of this system. In this thesis, we consider both the translationally-invariant lattice, and the combined harmonic trap and optical lattice. We use an extended Bose-Hubbard Hamiltonian which goes beyond the usual Bose-Hubbard approach, and is valid for shallower lattices and higher temperatures, by allowing for beyond nearest-neighbour hopping and excited bands, and we have developed an approximation scheme for off-site interactions. We derive the equations of the Popov approximation to the Hartree-Fock-Bogoliubov method for our Hamiltonian, and diagonalise these equations in the local density approximation (LDA). We examine the density of states of the optical lattice in detail and in various limits. We derive new results on the structure of the density of states, and, in the ideal case, we compare the density of states from the full diagonalisation with our LDA calculation. We make an efficient numerical implementation of our theory and compare the results with the full diagonalisation (for the non-interacting case) and with the limited experimental results currently available. We consider the significance of beyond nearest-neighbour hopping and excited bands and illustrate the properties of our model. In contrast to the trapped gas with no lattice, few thermodynamic results for cold bosons in an optical lattice have been calculated. We analytically derive the first practical formula for the critical temperature in an optical lattice by using simplified shapes for the density of states. We derive corrections for the influence of excited bands, the finite-size effect and mean-field interactions. In all of these cases, we compare our results to full numerical calculations and show that the validity range of our method is complementary to that of the effective-mass approximation, so that the simple descriptions extend over a wide range.
Beautiful experiments have shown that bosons in optical lattices provide a physical system with an unprecedented degree of control; that they can generate strongly correlated states; and that, as long-term goals, they may be useful for simulating other many-body systems, or realising a quantum computer. Recently a practical scheme for measuring temperature in an optical lattice has been demonstrated, which marks an important milestone necessary for the detailed study of the thermodynamics of this system. In this thesis, we consider both the translationally-invariant lattice, and the combined harmonic trap and optical lattice. We use an extended Bose-Hubbard Hamiltonian which goes beyond the usual Bose-Hubbard approach, and is valid for shallower lattices and higher temperatures, by allowing for beyond nearest-neighbour hopping and excited bands, and we have developed an approximation scheme for off-site interactions. We derive the equations of the Popov approximation to the Hartree-Fock-Bogoliubov method for our Hamiltonian, and diagonalise these equations in the local density approximation (LDA). We examine the density of states of the optical lattice in detail and in various limits. We derive new results on the structure of the density of states, and, in the ideal case, we compare the density of states from the full diagonalisation with our LDA calculation. We make an efficient numerical implementation of our theory and compare the results with the full diagonalisation (for the non-interacting case) and with the limited experimental results currently available. We consider the significance of beyond nearest-neighbour hopping and excited bands and illustrate the properties of our model. In contrast to the trapped gas with no lattice, few thermodynamic results for cold bosons in an optical lattice have been calculated. We analytically derive the first practical formula for the critical temperature in an optical lattice by using simplified shapes for the density of states. We derive corrections for the influence of excited bands, the finite-size effect and mean-field interactions. In all of these cases, we compare our results to full numerical calculations and show that the validity range of our method is complementary to that of the effective-mass approximation, so that the simple descriptions extend over a wide range.
A practical finite-temperature theory is developed for the superfluid regime of a weakly interacting Bose gas in an optical lattice with additional harmonic confinement. We derive an extended Bose-Hubbard model that is valid for shallow lattices and when excited bands are occupied. Using the Hartree-Fock-Bogoliubov-Popov mean-field approach, and applying local-density and coarse-grained envelope approximations, we arrive at a theory that can be numerically implemented accurately and efficiently. We present results for a three-dimensional system, characterizing the importance of the features of the extended Bose-Hubbard model and compare against other theoretical results and show an improved agreement with experimental data.
In this thesis, we investigate zero temperature and low temperature properties of lattice models as realized in and applicable to condensed matter systems and optical lattices. Optical lattices created using counterpropagating laser beams can mimic a clean lattice model of a material, thereby opening up the doorway towards accurate simulation of the latter. We treat lattice models of these systems where the interactions between the constituent particles range from very weak to very strong. In the first part of the thesis, we separately consider the effects of the kinetic energies and potential energies of the constituent particles in the lattice model. In the non-interacting limit, we use the formalism of lattice Green’s functions to compute the density of states of three related lattices: kagome, diced and hyperkagome. Such tight-binding descriptions are realized in materials like graphene and are useful as starting points to analyse the effects of turning on the inter-particle interactions. In the opposite limit of immobile and interacting particles, we consider Ising spins on quasi-one dimensional ladders and the kagome lattice at their respective saturation fields, the latter physics being realized at the saturation field of the spin ice compound Dy2Ti2O4. We accurately evaluate the zero temperature entropy at this phase point using transfer matrix methods and Binder’s algorithm, and compare with the available experimental value. Our method of constructing higher dimensional lattices from lower dimensional ones can be similarly used, in conjunction with Binder’s algorithm, to accurately evaluate the partition functions of large spin systems in complex lattice geometries. In the next part of the thesis, the effects of both kinetic and potential energy terms are included in the lattice model. The soft-core and hard-core Bose-Hubbard models, which are realized in optical lattices and bosonic systems like Helium-4, are investigated using linked cluster expansions and spinwave theory. We study the effect of introducing three and four body interactions in the soft-core BoseHubbard model in one and two dimensional systems using linked cluster expansions. We formulate a novel scheme to fully renormalize the two body interactions from the addition of these higher body interactions, and show that the latter preserve the universality of the transition between two of the zero temperature phases in the model the Mott insulator and superfluid. These results will aid in a better understanding of the physics in optical lattice experiments where higher body interactions in bosons can be controllably manipulated. In the hard-core Bose-Hubbard model with nearest neighbour interactions, we formulate a spin wave theory for a d-dimensional hypercubic lattice and compare with quantum Monte Carlo simulations for the square and simple cubic lattice models; we find good agreement between the two approaches in the weak to moderate coupling limits. Our comparison of the phase diagrams in one to three dimensions using various methods provides a good gauge for the effect of fluctuations in the model upon changing dimensionality. On the kagome lattice, the same model is investigated using numerical linked cluster expansions at finite temperatures. We compute thermodynamic quantities like system compressibility, internal energy, specific heat and Gruneisen parameter for various coupling strengths and fillings. We provide evidence for a weak first order transition between the valence bond solid and the superfluid phases at zero temperature using Gruneisen parameter scaling. In the immobile or Ising limit, the transition to the polarized state from the 1/3-filled phase is shown to be a first order transition. Low temperature scaling of the specific heat in the Ising limit at small fillings suggests the presence of low energy excitations in this compressible regime. Our results are relevant for extensitons to the recent realizations of hard-core bosons on optical lattices, and the investigation of the transitions and phases therein.
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.
In this paper we develop an analytic expression for the critical temperature for a gas of ideal bosons in a combined harmonic lattice potential, relevant to current experiments using optical lattices. We give corrections to the critical temperature arising from effective mass modifications of the low energy spectrum, finite size effects, and excited band states. We compute the critical temperature using numerical methods and compare to our analytic result. We study condensation in an optical lattice over a wide parameter regime and demonstrate that the critical temperature can be increased or reduced relative to the purely harmonic case by adjusting the harmonic trap frequency. We show that a simple numerical procedure based on a piecewise analytic density of states provides an accurate prediction for the critical temperature.
For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters.
This dissertation serves as a summary of my Ph.D. work numerically studying equilibrium and non-equilibrium properties of strongly-interacting one-dimensional (1D) boson systems. This work is motivated by the fact that 1D systems are realizable and highly controllable with ultracold atoms in optical lattice and atom chip experiments. We apply a recent worm algorithmic Monte Carlo approach developed for 1D continuous systems to study their equilibrium properties, both with and without an underlying lattice. We also apply an exact lattice approach based on the Bose-Fermi mapping to check our Monte Carlo results in the Tonks-Girardeau limit, and more importantly, to study far-from-equilibrium expansion dynamics of the systems.
We first study the scaling of one-particle correlations of the harmonically trapped Lieb-Liniger gas with changing temperature and interaction strength. Based on the universal behaviors of the density and momentum profiles, we are able to determine the effective parameters needed to fully characterize the system. We also find that the Tonks-Girardeau limit at low temperatures is the ideal regime for the experimental observation of the 1/k4 momentum tail.
An extra periodic lattice can drive the transition from superfluid to Mott insulator states. Exact and complete phase diagrams for such transitions are available only in the weak interacting and deep lattice limit, in which the system can be described using one-band Bose-Hubbard model. Beyond this limit, we use the worm algorithm in continuous space to map out the phase diagrams at various interaction strengths. We compare our phase diagrams with one-band Bose-Hubbard predictions and identify the regime where the one-band description breaks down. We introduce an inverse confined scattering solution to obtain effective Hubbard parameters, with which the Bose-Hubbard model provides correct results for strong interactions and deep lattices at unit filling.
In addition to the equilibrium properties, we also study the expansion dynamics of ultracold atoms in the hard-core limit. Experimentally, this is usually achieved by turning off confining potentials and letting atoms expand in optical lattices. Theoretical studies from initial ground states predicted the occurrence of fermionization of the momentum distribution after long expansion times. In addition, quasicondensation at finite momenta emerges when expanding from Mott insulating domains. Here, we develop a finite-temperature extension of the lattice approach for dynamics. We find the dynamical ferminoization of the momentum distributions at all temperatures. For expansion from initial Mott domains, we observe enhanced correlations reminiscent of dynamical quasicondensation. Surprisingly, we find the systems appear to cool down during the melting of the Mott domains. We use an emergent local Hamiltonian to understand these emergent phenomena.