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arXiv:cond-mat/0309670 · Physical Review A

Quantum Monte Carlo study of confined fermions in one-dimensional optical lattices

Marcos Rigol, Alejandro Muramatsu

Published May 14, 2004• 85 citations
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Abstract

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.

DOI
10.1103/physreva.69.053612

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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.
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. We show that this model displays quantum critical behavior at the boundaries of the local Mott‐insulating regions. A local compressibility defined to characterize the Mott‐insulating phase has a non‐trivial critical exponent. Both the local compressibility and the variance of the local density show universality with respect to the confining potential. We study the momentum distribution function and we find that it is not appropriate to characterize the transitions in the system.
Using quantum Monte Carlo simulations, we show that the one-dimensional fermionic Hubbard model in a harmonic potential displays quantum critical behavior at the boundaries of a Mott-insulating region. A local compressibility defined to characterize the Mott-insulating phase has a nontrivial critical exponent. Both the local compressibility and the variance of the local density show universality with respect to the confining potential. We determine a generic phase diagram, which allows the prediction of the phases to be observed in experiments with ultracold fermionic atoms trapped on optical lattices.
We investigate the one-dimensional Hubbard model with a confining potential, which may describe cold fermionic atoms trapped in an optical lattice. Combining the variational Monte Carlo simulations with the new stochastic reconfiguration scheme proposed by Sorella, we present an efficient method to systematically treat the ground state properties of the confined system with a site-dependent potential. By taking into account intersite correlations as well as site-dependent on-site correlations, we are able to describe the coexistence of the metallic and Mott insulating regions, which is consistent with other numerical results. Several possible improvements of the trial states are also addressed.
We study the ground state properties of the 1‐D boson and fermion Hubbard models in harmonic traps with an underlying lattice. The physics of these systems is found to be fundamentally different from the homogeneous case. Global quantities lose their meaning and Mott domains appear for a continuous range of incommensurate fillings. A local order parameter is defined to characterize the Mott insulating phases that coexist with the metallic ones. Finally, the phase diagrams show richer structures than in the homogeneous models.
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 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.