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arXiv:1005.1915 · Physical Review A

Analytical and numerical study of trapped strongly correlated bosons in two- and three-dimensional lattices

Itay Hen, Marcos Rigol

Published Oct 29, 2010• 17 citations
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Abstract

We study the ground-state properties of trapped inhomogeneous systems of hardcore bosons in two- and three-dimensional lattices. We obtain results both numerically, using quantum Monte Carlo techniques, and via several analytical approximation schemes, such as the Gutzwiller mean-field approach, a cluster mean-field method, and a spin-wave analysis which takes quantum fluctuations into account. We first study the homogeneous case, for which simple analytical expressions are obtained for all observables of interest, and compare the results with the numerical ones. We obtain the equation of state of the system along with other thermodynamic properties such as the free energy, kinetic energy, superfluid density, condensate density, and compressibility. In the presence of a trap, there is in general a spatial coexistence of superfluid and insulating domains. We show that the spin-wave-based method reproduces the quantum Monte Carlo results for global as well as for local quantities with a high degree of accuracy. We also discuss the validity of the local density approximation. Our analysis can be used to describe bosons in optical lattices where the onsite interaction $U$ is much larger than the hopping amplitude $t$.

DOI
10.1103/physreva.82.043634

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We study the ground-state properties of trapped inhomogeneous systems of hardcore bosons in two- and three-dimensional lattices. We obtain results both numerically, using quantum Monte Carlo techniques, and via several analytical approximation schemes, such as the Gutzwiller mean-field approach, a cluster mean-field method, and a spin-wave analysis which takes quantum fluctuations into account. We first study the homogeneous case, for which simple analytical expressions are obtained for all observables of interest, and compare the results with the numerical ones. We obtain the equation of state of the system along with other thermodynamic properties such as the free energy, kinetic energy, superfluid density, condensate density, and compressibility. In the presence of a trap, there is in general a spatial coexistence of superfluid and insulating domains. We show that the spin-wave-based method reproduces the quantum Monte Carlo results for global as well as for local quantities with a high degree of accuracy. We also discuss the validity of the local density approximation. Our analysis can be used to describe bosons in optical lattices where the onsite interaction UUU is much larger than the hopping amplitude ttt.
The Bose-Hubbard model describes the physics of a system of bosonic ultracold atoms in an optical lattice, in which a phase transition is present between a superfluid phase and a Mott insulator one. \nThe exact solution of this Hamiltonian is only feasible to find the ground-state of small systems, while other techniques (as mean-field schemes or quantum Monte Carlo) are necessary to study systems of larger size. \n \nAs a first application, we study the trapped model - relevant for the comparison with current experiments - through an inhomogeneous mean-field scheme. We describe some signatures of the phase crossover between superfluid and Mott insulator. In particular, the visibility of the quasimomentum distribution shows some kinks as a function of the lattice depth; we describe these features and we link them with the ones observed in other works in the literature. \n \nAs a second application, we use quantum Monte Carlo techniques to study the one-dimensional Bose-Hubbard model with long-range interactions and we focus on the appearance of the Haldane insulating phase, distinguishable from the Mott one through the presence of non-local hidden order. \nNon-local correlation functions are also used to describe the difference between the superfluid phase and the Mott insulator one.
We study properties of ultracold quantum gases trapped in 1D and under the influence of an underlying optical lattice. We analyze both fermionic and bosonic systems following different numerically exact approaches, like quantum Monte Carlo for soft-core bosons and two-species fermions, and a recently developed exact approach for HCB. The exposition is organized as follows. In Chap. 2, we study single species degenerated fermions on 1D lattices. We show that a splitting of the system takes place in a region of the spectrum with eigenstates that have a non-vanishing weight only in a fraction of the system. We also show that if on top of the lattice an alternating potential is introduced, doubling the original periodicity, an additional slicing' of the system can be achieved. The width and number of such regions can be controlled in a given energy range by the amplitude of the new modulation. By filling these systems the ground state may exhibit insulating regions due to the presence of local gaps, which can be observed in the local density of states. As a complement to these 1D results we present in Appendix A results obtained in 2D lattices. In Chap. 3 we review in some detail the two quantum Monte Carlo (QMC) techniques that are relevant to our study of confined soft-core bosons and two-species fermions on optical lattices, the worldline QMC and the zero temperature projector QMC, respectively. The basis of the classical Monte Carlo method are also presented, included a proof of the Central Limit theorem (Appendix B) that establishes its foundations. Properties of soft-core bosons confined on optical lattices are presented in Chap. 4. QMC simulations show that due to the presence of the slowly varying confining potential the concept of commensurability, typical for periodic systems, loses its meaning. Mott domains appears for a continuous range of fillings and always coexist with superfluid phases, as it was mentioned before. The latter feature is reflected by the behavior of the global compressibility, which never vanishes. A local compressibility, proportional to the variance of the local density, is defined in order to characterize the local Mott-insulating phases. Finally, a phase diagram for trapped systems is also presented. In Chap. 5 we study the ground state properties of two-components fermions confined on optical lattices. Like for the bosonic case, Mott domains also appear for a continuous range of fillings and always coexist with compressible phases. We define a local order parameter (that we denominate local compressibility), which characterizes the Mott insulating phases in an unambiguous way. By means of this local compressibility, we study in detail the interphase between the metallic and insulating region finding that critical behavior sets in revealing a new critical exponent. Furthermore, the behavior of the local compressibility and the variance of the density are found to be universal in this case, independently of the confining potential and the strength of the interaction, as usual in critical phenomena. We present in Chap. 6 a recently developed exact numerical approach that allows to study ground state properties of HCB confined on 1-D lattices. This exact treatment is applied to study the off-diagonal behavior of the one-particle density matrix (OPDM) and related quantities in the equilibrium case. We find that the OPDM decays as a power-law x^-1/2 for large-x, irrespective of the confining potential chosen. The power-law above is shown to determine the scaling of the occupation of the lowest natural orbital in the thermodynamic limit. This scaling and its finite size corrections are also studied for arbitrary powers of the confining potential. In addition, we find a power-law decay of the NO occupations at low densities, and show that its exponent is also universal. The low density limit in the lattice, equivalent to continuous systems, is also analyzed in detail. The approach above is generalized in Chap. 7 to study the non-equilibrium dynamics of HCB in 1-D configurations with an underlying lattice. The presence of the lattice enables the creation of pure Fock states of HCB (a HCB per lattice site) where there is no coherence in the system. We show that quasi-long range correlations develop in the equal-time-one-particle density matrix when such states are allowed to evolve freely, and that they lead to the formation of quasi-condensates of HCB at finite momentum. In addition,we obtain an universal power-law describing the population of the quasi-condensate as a function of time. Finally, we discuss how such systems can be used to create atom lasers with a wave-length that can be controlled through the lattice parameter.
We use quantum Monte Carlo simulations to obtain zero-temperature state diagrams for strongly correlated lattice bosons in one and two dimensions under the influence of a harmonic confining potential. Since harmonic traps generate a coexistence of superfluid and Mott insulating domains, we use local quantities such as the quantum fluctuations of the density and a local compressibility to identify the phases present in the inhomogeneous density profiles. We emphasize the use of the ``characteristic density'' to produce a state diagram that is relevant to experimental optical lattice systems, regardless of the number of bosons or trap curvature and of the validity of the local-density approximation. We show that the critical value of U/tU/tU/t at which Mott insulating domains appear in the trap depends on the filling in the system, and it is in general greater than the value in the homogeneous system. Recent experimental results by Spielman et al. [Phys. Rev. Lett. 100, 120402 (2008)] are analyzed in the context of our two-dimensional state diagram, and shown to exhibit a value for the critical point in good agreement with simulations. We also study the effects of finite, but low $(T\ensuremath{\le}t/2)$, temperatures. We find that in two dimensions they have little influence on our zero-temperature results, while their effect is more pronounced in one dimension.
We use quantum Monte Carlo simulations to obtain zero-temperature state diagrams for strongly correlated lattice bosons in one and two dimensions under the influence of a harmonic confining potential. Since harmonic traps generate a coexistence of superfluid and Mott insulating domains, we use local quantities such as the quantum fluctuations of the and a local compressibility to identify the phases present in the inhomogeneous profiles. We emphasize the use of the characteristic density to produce a state diagram that is relevant to experimental optical lattice systems, regardless of the number of bosons or trap curvature and of the validity of the local-density approximation. We show that the critical value of U/t at which Mott insulating domains appear in the trap depends on the filling in the system, and it is in general greater than the value in the homogeneous system. Recent experimental results by Spielman et al. [Phys. Rev. Lett. 100, 120402 (2008)] are analyzed in the context of our two-dimensional state diagram, and shown to exhibit a value for the critical point in good agreement with simulations. We also study the effects of finite, but low (T<t/2), temperatures. We find that in two dimensions they have little influence on our zero-temperature results, while their effect is more pronounced in one dimension.
Using quantum Monte Carlo (QMC) simulations we study the ground-state properties of the one-dimensional fermionic Hubbard model in traps with an underlying lattice. Since due to the confining potential the density is space dependent, Mott-insulating domains always coexist with metallic regions, such that global quantities are not appropriate to describe the system. We define a local compressibility that characterizes the Mott-insulating regions and analyze other local quantities. It is shown that the momentum distribution function, a quantity that is commonly considered in experiments, fails in giving a clear signal of the Mott-insulating transition. Furthermore, we analyze a mean-field approach to these systems and compare it with the numerically exact QMC results. Finally, we determine a generic form for the phase diagram that allows us to predict the phases to be observed in the experiments.
We study various properties of bosons in two dimensions interacting only via on-site hardcore repulsion. In particular, we use the lattice spin-wave approximation to calculate the ground-state energy, the density, the condensate density, and the superfluid density in terms of the chemical potential. We also calculate the excitation spectrum, \ensuremath{\omega}(k). In addition, we perform high precision numerical simulations using the stochastic series expansion algorithm. We find that the spin-wave results describe extremely well the numerical results over the whole density range 0\ensuremath{\leqslant}\ensuremath{\rho}\ensuremath{\leqslant}1. We also compare the lattice spin-wave results with continuum results obtained by summing the ladder diagrams at low density. We find that for \ensuremath{\rho}\ensuremath{\leqslant}0.1 there is good agreement, and that the difference between the two methods vanishes as ${\ensuremath{\rho}}^{2}$ for $\stackrel{\ensuremath{\rightarrow}}{\mathrm{\ensuremath{\rho}}}$0. This offers the possibility of obtaining precise continuum results by taking the continuum limit of the spin-wave results for all densities. Finally, we study the finite-temperature phase transition numerically for the entire density range, and compare with low density predictions.