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arXiv:0710.2703 · Physical Review A

Monte Carlo study of the two-dimensional Bose-Hubbard model

Barbara Capogrosso-Sansone, Şebnem Güneş Söyler, Nikolay V. Prokof'ev, Boris V. Svistunov

Published Jan 31, 2008• 278 citations
arXivHTMLPDF

Abstract

One of the most promising applications of ultracold gases in optical lattices is the possibility to use them as quantum emulators of more complex condensed matter systems. We provide benchmark calculations, based on exact quantum Monte Carlo simulations, for the emulator to be tested against. We report results for the ground state phase diagram of the two-dimensional Bose-Hubbard model at unity filling factor. We precisely trace out the critical behavior of the system and resolve the region of small insulating gaps, $\ensuremath{\Delta}⪡J$. The critical point is found to be ${(J/U)}_{c}=0.05974(3)$, in perfect agreement with the high-order strong-coupling expansion method of Elstner and Monien [Phys. Rev. B 59, 12184 (1999)]. In addition, we present data for the effective mass of particle and hole excitations inside the insulating phase and obtain the critical temperature for the superfluid-normal transition at unity filling factor.

DOI
10.1103/physreva.77.015602

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One of the most promising applications of ultracold gases in optical lattices is the possibility to use them as quantum emulators of more complex condensed matter systems. We provide benchmark calculations, based on exact quantum Monte Carlo simulations, for the emulator to be tested against. We report results for the ground state phase diagram of the two-dimensional Bose-Hubbard model at unity filling factor. We precisely trace out the critical behavior of the system and resolve the region of small insulating gaps, \ensuremathΔ⪡J\ensuremath{\Delta}⪡J\ensuremathΔ⪡J. The critical point is found to be (J/U)c=0.05974(3){(J/U)}_{c}=0.05974(3)(J/U)c​=0.05974(3), in perfect agreement with the high-order strong-coupling expansion method of Elstner and Monien [Phys. Rev. B 59, 12184 (1999)]. In addition, we present data for the effective mass of particle and hole excitations inside the insulating phase and obtain the critical temperature for the superfluid-normal transition at unity filling factor.
Ultracold atomic gases may be the ultimate quantum simulator.These isolated systems have the lowest temperatures in the observable universe, and their properties and interactions can be precisely and accurately tuned across a full spectrum of behaviors, from few-body physics to highly-correlated many-body effects.The ability to impose potentials on and tune interactions within ultracold gases to mimic complex systems mean they could become a theorist's playground.One of their great strengths, however, is also one of the largest obstacles to this dream: isolation.This thesis touches on both of these themes.First, methods to characterize phases and quantum critical points, and to construct finite temperature phase diagrams using experimentally accessible observables in the Bose Hubbard model are discussed.Then, the transition from a weakly to a strongly interacting Bose-Fermi mixture in the continuum is analyzed using zero temperature numerical techniques.Real materials can be emulated by ultracold atomic gases loaded into optical lattice potentials.We discuss the characteristics of a single boson species trapped in an optical lattice (described by the Bose Hubbard model) and the hallmarks of the quantum critical region that separates the superfluid and the Mott insulator ground states.We propose a method to map the quantum critical region using the single, experimentally accessible, local quantity R, the ratio of compressibility to local number fluctuations.The procedure to map a phase diagram with R is easily generalized to inhomogeneous systems and generic many-body Hamiltonians.We illustrate it here using quantum Monte Carlo simulations of the 2D Bose Hubbard model.Secondly, we investigate the transition from a degenerate Fermi gas weakly coupled List of Tables Table Page 2.1 Techniques to Probe Atoms in Optical Lattices . . . . . .
We establish the full ground state phase diagram of the disordered Bose-Hubbard model in two dimensions at a unity filling factor via quantum Monte Carlo simulations. Similarly to the three-dimensional case we observe extended superfluid regions persisting up to extremely large values of disorder and interaction strength which, however, have small superfluid fractions and thus low transition temperatures. In the vicinity of the superfluid-insulator transition of the pure system, we observe an unexpectedly weak--almost not resolvable--sensitivity of the critical interaction to the strength of (weak) disorder.
We report results of quantum Monte Carlo simulations of the Bose-Hubbard model in three dimensions. Critical parameters for the superfluid-to-Mott-insulator transition are determined with significantly higher accuracy than has been done in the past. In particular, the position of the critical point at filling factor n=1n=1n=1 is found to be at (U∕t)c=29.34(2){(U∕t)}_{\mathrm{c}}=29.34(2)(U∕t)c​=29.34(2), and the insulating gap $\ensuremath{\Delta}$ is measured with accuracy of a few percent of the hopping amplitude ttt. We obtain the effective mass of particle and hole excitations in the insulating state---with explicit demonstration of the emerging particle-hole symmetry and relativistic dispersion law at the transition tip---along with the sound velocity in the strongly correlated superfluid phase. These parameters are the necessary ingredients to perform analytic estimates of the low temperature $(T⪡\ensuremath{\Delta})$ thermodynamics in macroscopic samples. We present accurate thermodynamic curves, including these for specific heat and entropy, for typical insulating (U∕t=40)(U∕t=40)(U∕t=40) and superfluid (t∕U=0.0385)(t∕U=0.0385)(t∕U=0.0385) phases. Our data can serve as a basis for accurate experimental thermometry, and a guide for appropriate initial conditions if one attempts to use interacting bosons in quantum information processing.
We investigate the ground-state phase diagram of the soft-core Bose-Hubbard model with the nearest-neighbor repulsion on a square lattice by using an unbiased quantum Monte Carlo method. In contrast to a previous study [P. Sengupta et al., Phys. Rev. Lett. 94, 207202 (2005)], we present the ground-state phase diagrams up to high hopping amplitudes. As a result, in addition to the known supersolid above half-filling, we find a supersolid phase below and at half-filling for high hopping amplitudes. In addition, for a strong nearest-neighbor repulsion, we show that the supersolid phase occupies a remarkably broad region in the phase diagram. These results are in agreement with the results of the Gutzwiller mean-field approximation [M. Iskin, Phys. Rev. A 83, 051606(R) (2011); T. Kimura, Phys. Rev. A 84, 063630 (2011)]. However, it turns out that the regions of the supersolid phases are significantly smaller than the mean-field results.
In this dissertation I present results for lattice boson systems based on quantum Monte Carlo simulations by the Worm algorithm. Lattice bosons can be realized by ultracold gases in optical lattices and, under certain conditions, they are described by the Bose-Hubbard model. I will discuss the ground state, i.e. the phase diagram and properties of elementary excitations, as well as finite temperature thermodynamic properties of the two- and three-dimensional systems. These results provide bench-marks and guidance for experimentalists. I will also discuss the phase diagram of the one-dimensional hard-core Bose-Hubbard model with three-body interactions. The model is realized by cold polar molecules in optical lattices. The ground state presents a novel solid phase at unconventional filling, characterized by coexisting charge density wave and bond orders. Such phase has not been predicted by the preexisting mean field theory.
We investigate the temperature-dependent behavior emerging in the vicinity of the superfluid (SF) to Mott insulator (MI) transition of interacting bosons in a two-dimensional optical lattice, described by the Bose-Hubbard model. The equilibrium phase diagram at finite temperatures is computed by means of the cluster mean-field theory (CMF) where the effect of non-local correlations is analyzed systematically by finite-size scaling of the cluster size. The phase diagram exhibits a rich structure including a transition and a crossover of the SF and MI phases respectively to a normal fluid (NF) state at finite temperature. In order to characterize these phases, and the NF transition and crossover scales, we calculate, in addition to the condensate amplitude, the superfluid fraction, sound velocity and compressibility. The phase boundaries obtained by CMF with finite-size scaling agree quantitatively with quantum Monte Carlo (QMC) results as well as with experiments. The von Neumann entanglement entropy of a cluster exhibits critical enhancement near the SF-MI quantum critical point (QCP). We also discuss the behavior of the transition lines near this QCP at the particle-hole symmetric point located at the tip of a Mott lobe as well as away from particle-hole symmetry.