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arXiv:2605.26303 · Physical review. B./Physical review. B

Extended Bose-Hubbard Model on Small Grids: Exact Diagonalization and Monte Carlo Studies

Gabriele Costa, Matteo Ciardi, Fabio Cinti, Santi Prestipino

cond-mat.quant-gasquant-phSubmitted May 25, 2026• Announced May 27, 2026• 0 citations• Revised Jun 22, 2026 (v2)
v1 · May 25, 2026v2 · Jun 22, 2026
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Abstract

The superfluid-insulator transition in systems of lattice bosons is usually analyzed in the framework of the Bose-Hubbard model, and has been extensively studied by theory and simulations. Less attention has been paid to the remnants of the transition in truncated lattices, with or without periodic boundary conditions. Here we consider the hard-core limit of the extended Bose-Hubbard model on small square and triangular grids -- i.e., sections of the square and triangular lattices containing up to 13 sites. By mapping out the zero-temperature phase diagram through exact diagonalization, we find ground-state characteristics that are markedly different from those emerging in the thermodynamic limit, together with similarities. The dichotomy between superfluid-like and insulating-like behavior is then investigated in two-dimensional systems of a few interacting bosons in the continuum, subject to confining and optical-lattice potentials mimicking the $3\times 3$ square grid. Using path-integral Monte Carlo simulations, we compute kinetic and potential energies, as well as superfluidity and exchange-cycle statistics, finding hints of Bose-Hubbard behavior even in systems of just five particles.

Journal reference
Phys. Rev. B 114, 034509, 2026
DOI
10.1103/pflq-yyy5
Comments
16 pages, 18 figures

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The superfluid-insulator transition in systems of lattice bosons is usually analyzed in the framework of the Bose-Hubbard model, and has been extensively studied by theory and simulations. Less attention has been paid to the remnants of the transition in truncated lattices, with or without periodic boundary conditions. Here we consider the hard-core limit of the extended Bose-Hubbard model on small square and triangular grids -- i.e., sections of the square and triangular lattices containing up to 13 sites. By mapping out the zero-temperature phase diagram through exact diagonalization, we find ground-state characteristics that are markedly different from those emerging in the thermodynamic limit, together with similarities. The dichotomy between superfluid-like and insulating-like behavior is then investigated in two-dimensional systems of a few interacting bosons in the continuum, subject to confining and optical-lattice potentials mimicking the 3×33\times 33×3 square grid. Using path-integral Monte Carlo simulations, we compute kinetic and potential energies, as well as superfluidity and exchange-cycle statistics, finding hints of Bose-Hubbard behavior even in systems of just five particles.
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.
We use quantum Monte Carlo simulations and exact diagonalization to explore the phase diagram of the Bose-Hubbard model with an additional superlattice potential. We first analyze the properties of superfluid and insulating phases present in the hard-core limit where an exact analytic treatment is possible via the Jordan-Wigner transformation. The extension to finite on-site interactions is achieved by means of quantum Monte Carlo simulations. We determine insulator and superfluid phase diagrams as functions of the on-site repulsive interaction, superlattice potential strength, and filling, finding that insulators with fractional occupation numbers, which are present in the hard-core case, extend deep into the soft-core region. Furthermore, at integer fillings, we find that the competition between the on-site repulsion and the superlattice potential can produce a phase transition between a Mott insulator and a charge-density-wave insulator, with an intermediate superfluid phase. Our results are relevant to the behavior of ultracold atoms in optical superlattices which are beginning to be studied experimentally.
One of the most promising applications of ultracold gases in optical lattices is the possibility to use them as quantum emulators of more complex condensed matter systems. We provide benchmark calculations, based on exact quantum Monte Carlo simulations, for the emulator to be tested against. We report results for the ground state phase diagram of the two-dimensional Bose-Hubbard model at unity filling factor. We precisely trace out the critical behavior of the system and resolve the region of small insulating gaps, $\ensuremath{\Delta}⪡J$. The critical point is found to be (J/U)c=0.05974(3){(J/U)}_{c}=0.05974(3)(J/U)c​=0.05974(3), in perfect agreement with the high-order strong-coupling expansion method of Elstner and Monien [Phys. Rev. B 59, 12184 (1999)]. In addition, we present data for the effective mass of particle and hole excitations inside the insulating phase and obtain the critical temperature for the superfluid-normal transition at unity filling factor.
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.
For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters.
We study the ground state properties of the extended hard-core Bose–Hubbard model in a two-dimensional anisotropic triangular lattice by quantum Monte Carlo simulations. We present the ground state phase diagram at half filling. Four kinds of phases, including two solid phases, a superfluid phase and a supersolid phase, are observed. The supersolid phase exists only in a narrow region close to the isotropic limit. Away from half filling, we find that the results are strongly dependent on the phase at half filling. No supersolid phase exists if the ground state at half filling is a superfluid or a solid.