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arXiv:cond-mat/0611725 · Physical Review B

Supersolid of hardcore bosons on the face-centered cubic lattice

Takahumi Suzuki, Naoki Kawashima

Published May 24, 2007• 22 citations
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Abstract

We investigate a supersolid state in hardcore boson models on the face-centered-cubic (fcc) lattice. The supersolid state is characterized by a coexistence of crystalline order and superfluidity. Using a quantum Monte Carlo method based on the directed-loop algorithm, we calculate static structure factors and superfluid density at finite temperature, from which we obtain the phase diagram. The supersolid phase exists at intermediate fillings between a three-quarter-filled solid phase and a half-filled solid phase. We also discuss the mechanism of the supersolid state on the fcc lattice.

DOI
10.1103/physrevb.75.180502

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We investigate a supersolid state in hardcore boson models on the face-centered-cubic (fcc) lattice. The supersolid state is characterized by a coexistence of crystalline order and superfluidity. Using a quantum Monte Carlo method based on the directed-loop algorithm, we calculate static structure factors and superfluid density at finite temperature, from which we obtain the phase diagram. The supersolid phase exists at intermediate fillings between a three-quarter-filled solid phase and a half-filled solid phase. We also discuss the mechanism of the supersolid state on the fcc lattice.
We study the finite temperature properties of the extended Bose-Hubbard model on a cubic lattice. This model exhibits the so-called supersolid state. To start with, we investigate the ground-state phase diagram and find the supersolid state in the region of underdoped (less than the half-filled) density in contrast to the cases of one- and two-dimensional systems where the superfluid state and the solid state show the phase separation. Next, we investigate ordering processes at finite temperatures by quantum Monte Carlo simulations and find successive superfluid and solid phase transitions. There, we find that the two order parameters compete with each other. We establish a finite temperature phase diagram, which contains the superfluid, the solid, the supersolid, and the disordered phases. We develop a mean-field theory to analyze the ordering processes and compare the result with that obtained by simulations and discuss the mechanism of the competition of these two orders. We also study how the supersolid region shrinks as the on-site repulsion becomes strong.
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.
We study the soft-core extended Bose-Hubbard model in a two-dimensional triangular lattice by using the quantum Monte Carlo methods. The ground-state phase diagram of the system exhibits a very fruitful structure and is much intriguing. Aside from the Mott insulating state, four kinds of solid states with respect to the commensurate filling factors $\ensuremath{\rho}=1∕3,2∕3$ and $\ensuremath{\rho}=1$ are identified. In incommensurate fillings, superfluid, supersolid, as well as phase-separation states are detected. As in the case of the hard-core bosons, a supersolid phase exists in $1∕3<\ensuremath{\rho}<2∕3$ while it is unstable toward the phase separation in $\ensuremath{\rho}<1∕3$. However, this instability is refrained in $2∕3<\ensuremath{\rho}<1$ due to the softening of the bosons, and then a supersolid phase survives.
Using an unbiased quantum Monte Carlo method, we obtain convincing evidence of the existence of a checkerboard supersolid at a commensurate filling factor 1/2 (a commensurate supersolid) in the soft-core Bose-Hubbard model with nearest-neighbor repulsions on a cubic lattice. In conventional cases, supersolids are realized at incommensurate filling factors by a doped-defect-condensation mechanism, where particles (holes) doped into a perfect crystal act as interstitials (vacancies) and delocalize in the crystal order. However, in the model, a supersolid state is stabilized even at the commensurate filling factor 1/2 without doping. By performing grand canonical simulations, we obtain a ground-state phase diagram that suggests the existence of a supersolid at a commensurate filling. To obtain direct evidence of the commensurate supersolid, we next perform simulations in canonical ensembles at a particle density ρ=1/2 and exclude the possibility of phase separation. From the obtained snapshots, we discuss its microscopic structure and observe that interstitial-vacancy pairs are unbound in the crystal order.
We use two quantum Monte Carlo algorithms to map out the phase diagram of the two-dimensional hardcore boson Hubbard model with near (V1){(V}_{1})(V1​) and next near (V2){(V}_{2})(V2​) neighbor repulsion. At half filling we find three phases: superfluid (SF), checkerboard solid, and striped solid depending on the relative values of V1,V2,{V}_{1}{,V}_{2},V1​,V2​, and the kinetic energy. Doping away from half filling, the checkerboard solid undergoes phase separation: The superfluid and solid phases coexist but not as a single thermodynamic phase. As a function of doping, the transition from the checkerboard solid is therefore first order. In contrast, doping the striped solid away from half filling instead produces a striped supersolid phase: coexistence of density order with superfluidity as a single phase. One surprising result is that the entire line of transitions between the SF and checkerboard solid phases at half filling appears to exhibit dynamical O(3)O(3)O(3) symmetry restoration. The transitions appear to be in the same universality class as the special Heisenberg point even though this symmetry is explicitly broken by the V2{V}_{2}V2​ interaction.