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arXiv:cond-mat/0110024 · Physical Review Letters

Finite-Temperature Phase Diagram of Hard-Core Bosons in Two Dimensions

Guido Schmid, Synge Todo, Matthias Troyer, Ansgar Dorneich

Published Apr 9, 2002• 155 citations
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Abstract

We determine the finite-temperature phase diagram of the square lattice hard-core boson Hubbard model with nearest neighbor repulsion using quantum Monte Carlo simulations. This model is equivalent to an anisotropic spin-1/2 XXZ model in a magnetic field. We present the rich phase diagram with a first order transition between a solid and superfluid phase, instead of a previously conjectured supersolid and a tricritical end point to phase separation. Unusual reentrant behavior with ordering upon increasing the temperature is found, similar to the Pomeranchuk effect in 3He.

DOI
10.1103/physrevlett.88.167208

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We determine the finite-temperature phase diagram of the square lattice hard-core boson Hubbard model with nearest neighbor repulsion using quantum Monte Carlo simulations. This model is equivalent to an anisotropic spin-1/2 XXZ model in a magnetic field. We present the rich phase diagram with a first order transition between a solid and superfluid phase, instead of a previously conjectured supersolid and a tricritical end point to phase separation. Unusual reentrant behavior with ordering upon increasing the temperature is found, similar to the Pomeranchuk effect in 3He.
Using random phase approximation we build finite-temperature phase diagrams and calculate thermodynamic functions of a square lattice hard-core boson model with nearest (nn) and next-nearest-neighbor (nnn) interactions in terms of equivalent to it an anisotropic spin-1/2 XXZXXZXXZ model in a magnetic field. The system undergoes liquid-solid phase transitions that can be either of the first or second order. Depending on the hopping value and ratio between nn and nnn interactions the system displays two types of critical behavior. The line of the first-order transitions terminates in a bicritical end point inside the solid phase or ends in a tricritical point continuously giving way to the second-order phase transition line. The connection of the hopping and the ratio between the nn and nnn interactions with criticality of the system is investigated. The critical line separating the regions of specific critical behavior is built. Reentrant liquid-solid-liquid phase transitions are found and discussed.
We introduce an inhomogeneous bosonic mixture composed of two kinds of hard-core and semi-hard-core bosons with different nilpotency conditions and demonstrate that in contrast with the standard hard-core Bose-Hubbard model, our bosonic mixture with nearest- and next-nearest-neighbor interactions on a square lattice develops the checkerboard supersolid phase characterized by the simultaneous superfluid and checkerboard solid orders. Our bosonic mixture is created from a two-orbital Bose-Hubbard model including two kinds of bosons: a single-orbital boson and a two-orbital boson. By mapping the bosonic mixture to an anisotropic inhomogeneous spin model in the presence of a magnetic field, we study the ground-state phase diagram of the model by means of cluster mean field theory and linear spin-wave theory and show that various phases such as solid, superfluid, supersolid, and Mott insulator appear in the phase diagram of the mixture. Competition between the interactions and magnetic field causes the mixture to undergo different kinds of first- and second-order phase transitions. By studying the behavior of the spin-wave excitations, we find the reasons of all first- and second-order phase transitions. We also obtain the temperature phase diagram of the system using cluster mean field theory. We show that the checkerboard supersolid phase persists at finite temperature comparable with the interaction energies of bosons.
We study the ground-state properties of repulsively interacting bosons on the honeycomb lattice using large-scale quantum Monte Carlo simulations. In the hard-core limit, the half-filled system develops long-ranged diagonal order for sufficiently strong nearest-neighbor repulsion. This staggered solid melts at a first-order quantum phase transition into the superfluid phase, without the presence of any intermediate supersolid phase. Within the superfluid phase, both the superfluid density and the compressibility exhibit local minima near the particle (hole) density of one quarter, while the density and the condensate fraction show inflection points in this region. Relaxing the hard-core constraint, supersolid phases emerge for soft-core bosons. The suppression of the superfluid density is found to persist for sufficiently large, finite on-site repulsion.
Using extensive quantum Monte Carlo simulations, we study a minimum model of interacting hard-core bosons on a square lattice with hoppings of different lengths, featuring nearest-neighbor hopping (t1{t}_{1}t1​), anisotropic next-nearest-neighbor hopping (${t}_{2}^{\ensuremath{'}}$), and nearest-neighbor repulsion (V1{V}_{1}V1​). The paradigmatic checkerboard supersolid (CSS) phase emerges as ${t}_{2}^{\ensuremath{'}}$ turns on, with the solid order being characterized by ordering vector $\mathbf{q}=(\ensuremath{\pi},\ensuremath{\pi})$. This serves as a rare example of the CSS phase which is obtained by doping a checkerboard solid and harbors spontaneously broken gauge and translational symmetries. A first-order supersolid-to-superfluid transition is observed. Moreover, we find a solid order-by-thermal disorder behavior together with a superfluid-to-solid transition upon increasing temperature. The underlying picture of the order-by-disorder phenomenon is figured out within the framework of the entropy effect.
We determine the phase diagram of hard-core bosons on a triangular lattice with nearest-neighbor repulsion, paying special attention to the stability of the supersolid phase. Similar to the same model on a square lattice we find that for densities rho<1/3 or rho>2/3 a supersolid phase is unstable and the transition between a commensurate solid and the superfluid is of first order. At intermediate fillings 1/3<rho<2/3 we find an extended supersolid phase even at half filling rho=1/2. The emergence of the supersolid on the triangular lattice reflects a novel and interesting way for a quantum system to avoid classical frustration, similar to an order-by-disorder mechanism. It also offers an exciting possibility of realizing such phenomena in ultracold atoms on optical lattices.
We study the extended Bose-Hubbard model on a two-dimensional honeycomb lattice by using large-scale quantum Monte Carlo simulations. We present the ground-state phase diagrams for both the hard-core and the soft-core bosons. For the hard-core case, the transition between the $\ensuremath{\rho}=1∕2$ solid and the superfluid is first order, and the supersolid state is unstable toward phase separation. For the soft-core case, due to the presence of multiple occupation, a stable particle-induced supersolid (SS-p) phase emerges when $1∕2<\ensuremath{\rho}<1$. The transition from the solid at $\ensuremath{\rho}=1∕2$ to the SS-p phase is second order with the superfluid density scaling as ${\ensuremath{\rho}}_{s}\ensuremath{\sim}\ensuremath{\rho}\ensuremath{-}1∕2$. The SS-p phase has the same diagonal order as the solid at $\ensuremath{\rho}=1∕2$. As the chemical potential increases further, the SS-p phase turns into a solid where two bosons occupy each site of one sublattice through a first-order transition. We also calculate the critical exponents of the transition between the $\ensuremath{\rho}=1∕2$ solid and superfluid at the Heisenberg point for the hard-core case. We find the dynamical critical exponent z=0.15z=0.15z=0.15, which is smaller than results obtained on smaller lattices. This indicates that zzz approaches zero in the thermodynamic limit, and thus the transition is also first order even at the Heisenberg point.