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arXiv:cond-mat/0308062 · Physical Review A

Effects of inhomogeneity on the spectrum of the Mott-insulator state

Guido Pupillo, Eite Tiesinga, Carl J. Williams

Published Dec 10, 2003• 19 citations

Abstract

We investigate the existence of quantum quasi-phase-transitions for an ensemble of ultracold bosons in a one-dimensional optical lattice performing exact diagonalizations of the Bose-Hubbard Hamiltonian. When an external parabolic potential is added to the system quasi-phase-transitions are induced by the competition of on-site mean-field energy, hopping energy, and energy offset among lattice sites due to the external potential and lead to the coexistence of regions of particle localization and delocalization in the lattice. We clarify the microscopic mechanisms responsible for these quasi-phase-transitions as a function of the depth of the external potential when the on-site mean-field energy is large compared to the hopping energy. In particular, we show that a model Hamiltonian involving a few Fock states can describe the behavior of energy gap, mean particle numbers per site, and number fluctuations per site almost quantitatively. The role of symmetry on the gap as a function of the depth of the external trapping potential is elucidated. We discuss possible experimental signatures of quasi-phase-transitions studying the single-particle density matrix and explain microscopically the occurrence of local maxima in the momentum distribution. The role of a thermal population of the excited states on the momentum distribution is discussed.

DOI: 10.1103/physreva.68.063604

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We investigate the existence of quantum quasi-phase-transitions for an ensemble of ultracold bosons in a one-dimensional optical lattice performing exact diagonalizations of the Bose-Hubbard Hamiltonian. When an external parabolic potential is added to the system quasi-phase-transitions are induced by the competition of on-site mean-field energy, hopping energy, and energy offset among lattice sites due to the external potential and lead to the coexistence of regions of particle localization and delocalization in the lattice. We clarify the microscopic mechanisms responsible for these quasi-phase-transitions as a function of the depth of the external potential when the on-site mean-field energy is large compared to the hopping energy. In particular, we show that a model Hamiltonian involving a few Fock states can describe the behavior of energy gap, mean particle numbers per site, and number fluctuations per site almost quantitatively. The role of symmetry on the gap as a function of the depth of the external trapping potential is elucidated. We discuss possible experimental signatures of quasi-phase-transitions studying the single-particle density matrix and explain microscopically the occurrence of local maxima in the momentum distribution. The role of a thermal population of the excited states on the momentum distribution is discussed.

We study bosonic atoms in small optical lattices by exact diagonalization and observe a striking similarity to the superfluid to Mott insulator transition in macroscopic systems. The momentum distribution, the formation of an energy gap, and the pair correlation function show only a weak size dependence. For noncommensurate filling we reveal in deep lattices a mixture of localized and delocalized particles, which is sensitive to lattice imperfections. Breaking the lattice symmetry causes a Bose-glass-like behavior. We discuss the nature of excited states and orbital effects by using an exact diagonalization technique that includes higher bands.

We use the density-matrix renormalization group method to investigate ground-state and dynamic properties of the one-dimensional Bose-Hubbard model, the effective model of ultracold bosonic atoms in an optical lattice. For fixed maximum site occupancy n b = 5, we calculate the phase boundaries between the Mott insulator and the "superfluid" phase for the lowest two Mott lobes. We extract the Tomonaga-Luttinger parameter from the density-density correlation function and determine accurately the critical interaction strength for the Mott transition. For both phases, we study the momentum distribution function in the homogeneous system, and the particle distribution and quasi-momentum distribution functions in a parabolic trap. With our zero-temperature method we determine the photoemission spectra in the Mott insulator and in the "superfluid" phase of the one-dimensional Bose-Hubbard model. In the insulator, the Mott gap separates the quasi-particle and quasi-hole dispersions. In the "superfluid" phase the spectral weight is concentrated around zero momentum.

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.

We study the ground state properties of ultracold fermions trapped in a one-dimensional double-well optical lattice by using the density-matrix renormalization group method. The system is described by an extended Hubbard model with alternating hopping integrals and an external harmonic confining potential. We clarify the characteristic features of the metal–insulator phase transition originating from the double-well structure of the lattices. Several different types of insulating regions coexist when the number of atoms at each site is an integer or a half integer. We found that each insulating phase except for a band insulator exhibits rather large local density fluctuations, reflecting the strong dimerization of atoms within the unit cells of double-well lattices. The phase characteristics are elucidated in detail by investigating the profiles of the local density of atoms, the local density (spin) fluctuations, the double-occupancy probability and the spatially extended sp in correlations.

We investigate a quasi-one-dimensional system of trapped cold bosonic atoms in an optical lattice by using the density-matrix renormalization group to study the Bose-Hubbard model at

T=0

for experimentally realistic numbers of lattice sites. It is shown that a properly rescaled one-particle density matrix characterizes superfluid versus insulating states just as in the homogeneous system. For typical parabolic traps we also confirm the widely used local-density approach for describing correlations in the limit of weak interaction. Finally, we note that the superfluid to Mott-insulating transition is seen most directly in the half-width of the interference peak.

We use quantum Monte Carlo simulations and exact diagonalization to explore the phase diagram of the Bose-Hubbard model with an additional superlattice potential. We first analyze the properties of superfluid and insulating phases present in the hard-core limit where an exact analytic treatment is possible via the Jordan-Wigner transformation. The extension to finite on-site interactions is achieved by means of quantum Monte Carlo simulations. We determine insulator and superfluid phase diagrams as functions of the on-site repulsive interaction, superlattice potential strength, and filling, finding that insulators with fractional occupation numbers, which are present in the hard-core case, extend deep into the soft-core region. Furthermore, at integer fillings, we find that the competition between the on-site repulsion and the superlattice potential can produce a phase transition between a Mott insulator and a charge-density-wave insulator, with an intermediate superfluid phase. Our results are relevant to the behavior of ultracold atoms in optical superlattices which are beginning to be studied experimentally.