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arXiv:cond-mat/0701178 · Physical Review B

Phase diagram and thermodynamics of the three-dimensional Bose-Hubbard model

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

Published Apr 16, 2007• 296 citations
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Abstract

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 $n=1$ is found to be at ${(U∕t)}_{\mathrm{c}}=29.34(2)$, and the insulating gap $\ensuremath{\Delta}$ is measured with accuracy of a few percent of the hopping amplitude $t$. 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 $(U∕t=40)$ and superfluid $(t∕U=0.0385)$ 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.

DOI
10.1103/physrevb.75.134302

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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 \ensuremathΔ\ensuremath{\Delta}\ensuremathΔ 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⪡\ensuremathΔ)(T⪡\ensuremath{\Delta})(T⪡\ensuremathΔ) 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.
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){(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.
We study the thermodynamics near the generic (density-driven) superfluid--Mott-insulator transition in the three-dimensional Bose-Hubbard model using the nonperturbative renormalization-group approach. At low energy, the physics is controlled by the Gaussian fixed point and becomes universal. Thermodynamic quantities can then be expressed in terms of the universal scaling functions of the dilute Bose gas universality class while the microscopic physics enters only via two nonuniversal parameters, namely, the effective mass m∗{m}^{*}m∗ and the ``scattering length'' a∗{a}^{*}a∗ of the elementary excitations at the quantum critical point between the superfluid and Mott-insulating phases. A notable exception is the condensate density in the superfluid phase which is proportional to the quasiparticle weight Zqp{Z}_{\mathrm{qp}}Zqp​ of the elementary excitations. The universal regime is defined by ${m}^{*}{a}^{*}{}^{2}T\ensuremath{\ll}1$ and ${m}^{*}{a}^{*}{}^{2}|\ensuremath{\delta}\ensuremath{\mu}|\ensuremath{\ll}1$ or, equivalently, $|\overline{n}\ensuremath{-}{\overline{n}}_{c}|{a}^{*}{}^{3}\ensuremath{\ll}1$, where $\ensuremath{\delta}\ensuremath{\mu}=\ensuremath{\mu}\ensuremath{-}{\ensuremath{\mu}}_{c}$ is the chemical potential shift from the quantum critical point $(\ensuremath{\mu}={\ensuremath{\mu}}_{c},\phantom{\rule{0.28em}{0ex}}T=0)$ and $\overline{n}\ensuremath{-}{\overline{n}}_{c}$ the doping with respect to the commensurate density n‾c{\overline{n}}_{c}nc​ of the T=0T=0T=0 Mott insulator. We compute Zqp{Z}_{\mathrm{qp}}Zqp​, m∗{m}^{*}m∗, and a∗{a}^{*}a∗ and find that they vary strongly with both the ratio t/Ut/Ut/U between hopping amplitude and onsite repulsion and the value of the (commensurate) density n‾c{\overline{n}}_{c}nc​. Finally, we discuss the experimental observation of universality and the measurement of Zqp{Z}_{\mathrm{qp}}Zqp​, m∗{m}^{*}m∗, and a∗{a}^{*}a∗ in a cold-atomic gas in an optical lattice.
We study the quantum phase transition between the insulating and the globally coherent superfluid phases in the Bose-Hubbard model with T3{\mathcal{T}}_{3}T3​ structure, the ``dice lattice.'' Even in the absence of any frustration the superfluid phase is characterized by modulation of the order parameter on the different sublattices of the T3{\mathcal{T}}_{3}T3​ structure. The zero-temperature critical point as a function of magnetic field shows the characteristic ``butterfly'' form. At full frustration the superfluid region is strongly suppressed. In addition, due to the existence of the Aharonov-Bohm cages at f=1∕2f=1∕2f=1∕2, we find some evidence for the existence of an intermediate insulating phase characterized by a zero superfluid stiffness but finite compressibility. In this intermediate phase bosons are localized due to the external frustration and the topology of the T3{\mathcal{T}}_{3}T3​ lattice. We name this new phase the Aharonov-Bohm insulator. In the presence of charge frustration the phase diagram acquires the typical lobe structure. The form and hierarchy of the Mott insulating states with fractional fillings are dictated by the particular topology of the T3{\mathcal{T}}_{3}T3​ lattice. The results presented were obtained by a variety of analytical methods: mean-field and variational techniques to approach the phase boundary from the superconducting side and a strongly coupled expansion appropriate for the Mott insulating region. In addition we performed quantum Monte Carlo simulations of the corresponding (2+1)(2+1)(2+1)-dimensional XYXYXY model to corroborate the analytical calculations with a more accurate quantitative analysis. We finally discuss experimental realization of the T3{\mathcal{T}}_{3}T3​ lattice both with optical lattices and with Josephson junction arrays.
We report results from a systematic analytic strong-coupling expansion of the Bose-Hubbard model in one- and two-spatial dimensions. We obtain numerically exact results for the dispersion of single-particle and single-hole excitations in the Mott insulator. The boundary of the Mott phase can be determined with previously unattainable accuracy in one and two dimensions. In one dimension, we observe the occurrence of reentrant behavior from the compressible to the insulating phase in a region close to the critical point, which was conjectured in earlier work. Our calculation can be used as a benchmark for the development of numerical techniques for strongly correlated systems.
The phase diagrams and phase transitions of bosons with short-ranged repulsive interactions moving in periodic and/or random external potentials at zero temperature are investigated with emphasis on the superfluid-insulator transition induced by varying a parameter such as the density. Bosons in periodic potentials (e.g., on a lattice) at T=0 exhibit two types of phases: a superfluid phase and Mott insulating phases characterized by integer (or commensurate) boson densities, by the existence of a gap for particle-hole excitations, and by zero compressibility. Generically, the superfluid onset transition in d dimensions from a Mott insulator to superfluidity is ``ideal,'' or mean field in character, but at special multicritical points with particle-hole symmetry it is in the universality class of the (d+1)-dimensional XY model. In the presence of disorder, a third, ``Bose glass'' phase exists. This phase is insulating because of the localization effects of the randomness and analogous to the Fermi glass phase of interacting fermions in a strongly disordered potential.The Bose glass phase is characterized by a finite compressibility, no gap, but an infinite superfluid susceptibility. In the presence of disorder the transition to superfluidity is argued to occur only from the Bose glass phase, and never directly from the Mott insulator. This zero-temperature superfluid-insulator transition is studied via generalizations of the Josephson scaling relation for the superfluid density at the ordinary \ensuremath{\lambda} transition, highlighting the crucial role of quantum fluctuations. The transition is found to have a dynamic critical exponent z exactly equal to d and correlation length and order-parameter correlation exponents \ensuremath{\nu} and \ensuremath{\eta} which satisfy the bounds \ensuremath{\nu}\ensuremath{\ge}2/d and \ensuremath{\eta}\ensuremath{\le}2-d, respectively. It is argued that the superfluid-insulator transition in the presence of disorder may have an upper critical dimension dc{d}_{c}dc​ which is infinite, but a perturbative renormalization-group calculation wherein the critical exponents have mean-field values for weak disorder above d=4 is also discussed. Many of these conclusions are verified by explicit calculations on a model of one-dimensional bosons in the presence of both random and periodic potentials. The general results are applied to experiments on 4He^{4}\mathrm{He}4He absorbed in porous media such as Vycor. Some measurable properties of the superfluid onset are predicted exactly [e.g., the exponent x relating the \ensuremath{\lambda} transition temperature to the zero-temperature superfluid density is found to be d/2(d-1)], while stringent bounds are placed on others. Analysis of preliminary data is consistent with these predictions.