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arXiv:1110.5261 · Physical Review Letters

Commensurate Supersolid of Three-Dimensional Lattice Bosons

Takahiro Ohgoe, Takafumi Suzuki, Naoki Kawashima

Published May 3, 2012• 37 citations

Abstract

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.

DOI: 10.1103/physrevlett.108.185302

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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.

The ground state of hard-core bosons on the square lattice with nearest and next-nearest-neighbor repulsion is studied by quantum Monte Carlo simulations. A supersolid phase with vacancy condensation and ``star'' diagonal ordering is found for filling $\ensuremath{\rho}<0.25$. At filling $\ensuremath{\rho}>0.25$, a supersolid phase exists between the star and the stripe crystal at $\ensuremath{\rho}=0.5$. No supersolid phase occurs for $\ensuremath{\rho}>0.25$ if the ground state at half-filling is either a checkerboard crystal or a superfluid. No commensurate supersolid phase is observed.

We study the ground-state phase diagram of the hard-core extended boson Hubbard model on the square lattice with both nearest- and next-nearest-neighbor hoppings and repulsions, using Gutzwiller mean-field theory and quantum Monte Carlo simulations. We observe the formation of supersolid states with checkerboard, striped, and quarter-filled crystal structures when the system is doped away from commensurate fillings. In the striped supersolid phase, a strong anisotropy in the superfluid density is obtained from the simulations; however, the transverse component remains finite, indicating a true two-dimensional superflow. We find that upon doping, the striped supersolid transitions directly into the supersolid with quarter-filled crystal structure, via a first-order stripe melting transition.

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.

We numerically study the ground state phase diagram of the two-dimensional hard-core Bose-Hubbard model with nearest-(V(1)) and next-nearest-neighbour (V(2)) repulsions. In particular, we focus on the quarter-filled phases where one supersolid and two solid phases are observed. Using both canonical and grand canonical quantum Monte Carlo (QMC) methods and a mean-field calculation, we provide evidence for the existence of a commensurate supersolid. Despite the two possible diagonal long-range orderings for the solid phase, only one kind of supersolid phase is found to be energetically stable. The competition between the two solid phases manifests itself as a first-order phase transition around 2V(2) ∼ V(1). The change of order parameters as a function of the chemical potential is also presented.

We present a comprehensive numerical study on the ground state phase diagram of the two-dimensional hard core bosonic extended Hubbard model with nearest

({V}_{1})

and next nearest neighbor

({V}_{2})

repulsions. In addition to the quantum solid and superfluid phases, we report the existence of a striped supersolid and three-quarter (quarter)-filled supersolid at commensurate density $\ensuremath{\rho}=0.75$ (0.25) due to the interplay of

{V}_{1}

and

{V}_{2}

interactions. The nature of the three-quarter-filled supersolid and the associated quantum solid will be discussed. The observed quantum phase transition between the two supersolids of different symmetries is found to be first order.

We consider a two-species hard-core boson Hubbard model for a supersolid, where two types of bosons represent vacancies and interstitials doped into a commensurate crystal. The on-site interspecies interaction can create bound states of vacancies and interstitials facilitating vacancy condensation at lower energies than in a single-species model, as suggested in an earlier mean-field study. Here, we carry out quantum Monte Carlo simulations to study possible supersolid phases of the model, which correspond to superfluid phases of the vacancies or interstitials. At low temperatures, we find three distinct superfluid phases. The extent of the phases and the nature of the phase transitions are discussed in comparison to mean-field theory.