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arXiv:1604.00410 · Physical Review A

Multiband effects and the Bose-Hubbard model in one-dimensional lattices

Wei Xu, Maxim Olshanii, Marcos Rigol

Published Sep 2, 2016• 6 citations
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Abstract

We study phase diagrams of one-dimensional bosons with contact interactions in the presence of a lattice. We use the worm algorithm in continuous space and focus on the incommensurate superfluid--Mott-insulator transition. Our results are compared to those from the one-band Bose-Hubbard model. When Wannier states are used to determine the Bose-Hubbard model parameters, the comparison unveils an apparent breakdown of the one-band description for strong interactions, even for the Mott-insulating state with an average of one particle per site ($n=1$) in deep lattices. We introduce an inverse confined scattering analysis to obtain the ratio $U/J$, with which the Bose-Hubbard model provides correct results for strong interactions, deep lattices, and $n=1$.

DOI
10.1103/physreva.94.031601

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We study phase diagrams of one-dimensional bosons with contact interactions in the presence of a lattice. We use the worm algorithm in continuous space and focus on the incommensurate superfluid--Mott-insulator transition. Our results are compared to those from the one-band Bose-Hubbard model. When Wannier states are used to determine the Bose-Hubbard model parameters, the comparison unveils an apparent breakdown of the one-band description for strong interactions, even for the Mott-insulating state with an average of one particle per site (n=1n=1n=1) in deep lattices. We introduce an inverse confined scattering analysis to obtain the ratio U/JU/JU/J, with which the Bose-Hubbard model provides correct results for strong interactions, deep lattices, and n=1n=1n=1.
Recent experiments revealed the importance of higher-band effects for the Mott-insulator(MI)--superfluid transition(SF) of ultracold bosonic atoms or mixtures of bosons and fermions in deep optical lattices [Best et al., Phys. Rev. Lett. 102, 030408 (2009); Will et al., Nature (London) 465, 197 (2010)]. In the present work we derive an effective lowest-band Hamiltonian in three dimensions that generalizes the standard Bose-Fermi-Hubbard model taking these effects as well as nonlinear corrections of the tunneling amplitudes mediated by interspecies interactions into account. It is shown that a correct description of the lattice states in terms of the bare-lattice Wannier functions, rather than approximations such as harmonic-oscillator states, is essential. In contrast to self-consistent approaches based on effective Wannier functions, our approach captures the observed reduction of the superfluid phase for repulsive interspecies interactions.
Building on the work of Fisher et al. [Phys. Rev. B 40, 546 (1989)], we develop the perturbation theory for the Bose-Hubbard model and apply it to calculate the effects of a degenerate gas of spin-polarized fermions interacting by contact interactions with the constituent bosons. For the single-band Bose-Hubbard model, we find that the net effect of the screening of the boson on-site interaction by the fermions is to suppress the Mott-insulating lobes in the Bose-Hubbard phase diagram. For the more general multiband model, we find that, in addition to the fermion screening effects, the virtual excitations of the bosons to the higher Bloch bands, coupled with the contact interactions with the fermions, result in an effective increase (decrease) of the boson on-site repulsion (hopping parameter). If the higher-band renormalization of the boson parameters is dominant over the fermion screening of the interaction, the Mott-insulating lobes in the Bose-Hubbard phase diagram are enhanced for either sign of the Bose-Fermi interactions, consistent with the recent experiments.
This dissertation serves as a summary of my Ph.D. work numerically studying equilibrium and non-equilibrium properties of strongly-interacting one-dimensional (1D) boson systems. This work is motivated by the fact that 1D systems are realizable and highly controllable with ultracold atoms in optical lattice and atom chip experiments. We apply a recent worm algorithmic Monte Carlo approach developed for 1D continuous systems to study their equilibrium properties, both with and without an underlying lattice. We also apply an exact lattice approach based on the Bose-Fermi mapping to check our Monte Carlo results in the Tonks-Girardeau limit, and more importantly, to study far-from-equilibrium expansion dynamics of the systems. We first study the scaling of one-particle correlations of the harmonically trapped Lieb-Liniger gas with changing temperature and interaction strength. Based on the universal behaviors of the density and momentum profiles, we are able to determine the effective parameters needed to fully characterize the system. We also find that the Tonks-Girardeau limit at low temperatures is the ideal regime for the experimental observation of the 1/k41/k^41/k4 momentum tail. An extra periodic lattice can drive the transition from superfluid to Mott insulator states. Exact and complete phase diagrams for such transitions are available only in the weak interacting and deep lattice limit, in which the system can be described using one-band Bose-Hubbard model. Beyond this limit, we use the worm algorithm in continuous space to map out the phase diagrams at various interaction strengths. We compare our phase diagrams with one-band Bose-Hubbard predictions and identify the regime where the one-band description breaks down. We introduce an inverse confined scattering solution to obtain effective Hubbard parameters, with which the Bose-Hubbard model provides correct results for strong interactions and deep lattices at unit filling. In addition to the equilibrium properties, we also study the expansion dynamics of ultracold atoms in the hard-core limit. Experimentally, this is usually achieved by turning off confining potentials and letting atoms expand in optical lattices. Theoretical studies from initial ground states predicted the occurrence of fermionization of the momentum distribution after long expansion times. In addition, quasicondensation at finite momenta emerges when expanding from Mott insulating domains. Here, we develop a finite-temperature extension of the lattice approach for dynamics. We find the dynamical ferminoization of the momentum distributions at all temperatures. For expansion from initial Mott domains, we observe enhanced correlations reminiscent of dynamical quasicondensation. Surprisingly, we find the systems appear to cool down during the melting of the Mott domains. We use an emergent local Hamiltonian to understand these emergent phenomena.
We investigate the superfluid-insulator transition of one-dimensional interacting bosons in both deep and shallow periodic potentials. We compare a theoretical analysis based on quantum Monte Carlo simulations in continuum space and Luttinger liquid approach with experiments on ultracold atoms with tunable interactions and optical lattice depth. Experiments and theory are in excellent agreement. Our study provides a quantitative determination of the critical parameters for the Mott transition and defines the regimes of validity of widely used approximate models, namely, the Bose-Hubbard and sine-Gordon models.
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.
Bosonic atoms confined in optical lattices are described by the Bose-Hubbard model and can exist in two different phases, Mott insulator or superfluid, depending on the strength of the system parameters. In the vicinity of the phase boundary, there are degeneracies that occur between every two adjacent Mott lobes. Because of this, nondegenerate perturbation theory fails to give meaningful results for the condensate density: it predicts a phase transition in a point of the phase diagram where no transition occurs. Motivated by this, we develop two different degenerate perturbative methods to solve the degeneracy-related problems. Moreover, we study the one-dimensional repulsively interacting Bose gas under harmonic confinement, with special attention to the asymptotic behavior of the momentum distribution, which is a universal k−4k^{-4}k−4 decay characterized by the Tan's contact. The latter constitutes a direct signature of the short-range correlations in such an interacting system and provides valuable insights about the role of the interparticle interactions. We investigate the system constituted of NNN interacting particles in the strongly interacting limit. In such a regime, the strong interparticle interaction makes the bosons behave similarly to the ideal Fermi gas. Because of the difficulty in analytically solving the system for NNN particles at finite interaction, the Tonks-Girardeau regime provides a favorable scenario to probe the contact. Therefore, we are able to provide an analytical formula for the Tan's contact. Furthermore, we analyze the scaling properties of the Tan's contact in terms of NNN in the high-temperature regime as well as in the strongly interacting regime. Finally, we compare our analytical calculations of the Tan's contact to quantum Monte Carlo simulations and discuss some fundamental differences between the canonical and the grand-canonical ensembles.