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arXiv:cond-mat/0306662 · Physical Review Letters

Commensurate Two-Component Bosons in an Optical Lattice: Ground State Phase Diagram

Anatoly B. Kuklov, Nikolay V. Prokof'ev, Boris V. Svistunov

Published Feb 3, 2004• 190 citations
arXivHTMLPDF

Abstract

Two sorts of bosons in an optical lattice at commensurate filling factors can form five stable super-fluid and insulating ground states with rich and nontrivial phase diagram. The structure of the ground state diagram is established by mapping a d-dimensional quantum system onto a (d+1)-dimensional classical loop-current model and Monte Carlo (MC) simulations of the latter. Surprisingly, the quantum phase diagram features, besides second-order lines, first-order transitions and two multicritical points. We explain why first-order transitions are generic for models with pairing interactions using microscopic and mean-field (MF) arguments. In some cases, the MC results strongly deviate from the MF predictions.

DOI
10.1103/physrevlett.92.050402

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Two sorts of bosons in an optical lattice at commensurate filling factors can form five stable super-fluid and insulating ground states with rich and nontrivial phase diagram. The structure of the ground state diagram is established by mapping a d-dimensional quantum system onto a (d+1)-dimensional classical loop-current model and Monte Carlo (MC) simulations of the latter. Surprisingly, the quantum phase diagram features, besides second-order lines, first-order transitions and two multicritical points. We explain why first-order transitions are generic for models with pairing interactions using microscopic and mean-field (MF) arguments. In some cases, the MC results strongly deviate from the MF predictions.
The bosonic t-J model is a strong-on-site repulsion limit of the two-component Bose-Hubbard model and is expected to be realized by experiments of cold atoms in an optical lattice. In previous papers, we studied the bosonic t-J model by both analytical methods and numerical Monte - Carlo (MC) simulations. However, in the case of finite JzJ_zJz​, where JzJ_zJz​ is the zzz-component coupling constant of the pseudospin interaction, the phase diagram of the model was investigated by assuming the checkerboard type of boson densities. In this study, we shall continue our previous study of the bosonic t-J model using both the Gross-Pitaevskii (GP) theory and MC simulations without assuming any pattern of boson densities. These two methods complement each other and give reliable results. We show that as JzJ_zJz​ is increased, the superfluid state evolves into a supersolid (SS), and furthermore into a genuine solid with the checkerboard symmetry. In the present study, we propose a method identifying quantum phase transitions in the GP theory. We also study finite-temperature phase transitions of the superfluidity and the diagonal solid order of the SS by MC simulations.
Various types of superfluid-insulator transitions are investigated for two-component lattice boson systems in two dimensions with on-site hard-core repulsion and the component-dependent intersite interaction. The mean-field phase diagram is obtained by the Gutzwiller-type variational technique in the plane of filling and interaction parameters. Various ground-state properties are also studied by the quantum Monte Carlo method. Our model exhibits two types of diagonal long-range orders; the density order around the density n=1/2n=1/2n=1/2 and the Ising-type component order near n=1n=1n=1. The quantum Monte Carlo results for the transitions from the superfluid state to these two ordered states show marked contrast with the Gutzwiller results. Namely, although they are both accompanied by phase separation into commensurate (n=1/2n=1/2n=1/2 or n=1n=1n=1) and incommensurate density phases, these transitions are both continuous. The continuous growth of the component correlation severely suppresses the superfluidity as well as the inverse of the effective mass in the critical region of the component order transition in contrast to the persistence of the superfluidity in the density-ordered state. We propose a mechanism of the mass enhancement observed even far from the Mott insulating filling n=1n=1n=1, when the Ising-type component order persists into n≠1n \neq 1n=1. Possible relevance of this type of mass enhancement in other systems is also discussed.
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 consider the two-species bosonic Hubbard model with variable interspecies interaction and hopping strength in the grand canonical ensemble with a common chemical potential. We analyze the superfluid-insulator (SI) transition for the relevant parameter regimes and compute the ground state phase diagram in the vicinity of odd filling Mott states. We find that the superfluid-insulator transition occurs with (a) simultaneous onset of superfluidity of both species or (b) coexistence of Mott insulating state of one species and superfluidity of the other or, in the case of unit filling, (c) complete depopulation of one species. The superfluid-insulator transition can be first order in a large region of the phase diagram. We develop a variational mean-field method which takes into account the effect of second order quantum fluctuations on the superfluid-insulator transition and corroborate the mean-field phase diagram using a quantum Monte Carlo study.
We study a two-species bosonic Hubbard model on a two-dimensional square lattice by means of quantum Monte Carlo simulations. In addition to the usual contact repulsive interactions between the particles, the Hamiltonian has an interconversion term which allows the transformation of two particles from one species to the other. The phases are characterized by their solid or superfluid properties and by their polarization, i.e., the difference in the populations. When interspecies interactions are smaller than the intraspecies ones, the system is unpolarized, whereas in the opposite case the system is unpolarized in even Mott insulator lobes and polarized in odd Mott lobes and also in the superfluid phase. We show that in the latter case the transition between the Mott insulator of total density 2 and the superfluid can be of either second or first order depending on the relative values of the interactions, whereas the transitions are continuous in all other cases.
We study ground-state phase diagrams and excitation spectra of Bose-Bose mixtures in an optical lattice by applying the Gutzwiller approximation to the two-component Bose-Hubbard model. A case of equal hoppings and equal intra-component interactions for both components is considered. Due to the existence of inter-component interaction, there appear several quantum phases, such as the superfluid, paired superfluid, and counterflow superfluid phases. We find that the transition from superfluid (SF) to Mott insulator (MI) with even filling factors can be of the first order for a wide range of the chemical potential. We calculate the excitation spectra as a useful probe to identify the quantum phases and the SF-to-MI transitions. In the excitation spectra of the SF phase, there are two gapless modes and a few gapful modes, which respectively correspond to phase and amplitude fluctuations of the order parameters. At the SF-to-MI transition point, we show that the energy gaps of certain amplitude modes reach zero for the second-order transition while they remain finite for the first-order one. Since the excitation spectrum can be measured by the Bragg scattering, we calculate the dynamical structure factor by using the linear response theory. We consider three types of density fluctuations, and show that the density fluctuations are coupled to different excitation branches in different quantum phases.