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Physical review. B./Physical review. B

Interaction-driven crossover from Mott insulator–superfluid criticality to Bose-Einstein condensation in a simple cubic lattice

T. K. Kopeć

Published Oct 17, 2024• 4 citations
Publisher

Abstract

We investigate how strongly interacting bosons, described by the Bose-Hubbard Hamiltonian, transition from the Mott insulator to the superfluid phase and, ultimately, to a regime of vanishing interaction where the system smoothly transitions to an ensemble of free bosons undergoing Bose-Einstein condensation. Our study focuses on bosons residing on a three-dimensional simple cubic lattice, with tight-binding interactions characterized by the kinetic energy $t$ between neighboring lattice sites and on-site repulsion $U$. To achieve this, we develop a formalism based on mapping the original quantum mechanical Hamiltonian onto an effective quantum spherical model. This approach is nonperturbative in interaction energy and spans the entire range of the interaction parameter $U$. Our findings are presented through a series of multiparameter phase diagrams that include temperature, interaction energy, chemical potential, and particle density, highlighting the corresponding critical surfaces and lines. In this context, we address the issue of quantum critical points at fixed densities, which appear as endpoints in the temperature-interaction phase diagram. We also compare our theoretical results, where applicable, with other approaches, including quantum Monte Carlo simulations.

DOI
10.1103/physrevb.110.144517

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We investigate how strongly interacting bosons, described by the Bose-Hubbard Hamiltonian, transition from the Mott insulator to the superfluid phase and, ultimately, to a regime of vanishing interaction where the system smoothly transitions to an ensemble of free bosons undergoing Bose-Einstein condensation. Our study focuses on bosons residing on a three-dimensional simple cubic lattice, with tight-binding interactions characterized by the kinetic energy ttt between neighboring lattice sites and on-site repulsion UUU. To achieve this, we develop a formalism based on mapping the original quantum mechanical Hamiltonian onto an effective quantum spherical model. This approach is nonperturbative in interaction energy and spans the entire range of the interaction parameter UUU. Our findings are presented through a series of multiparameter phase diagrams that include temperature, interaction energy, chemical potential, and particle density, highlighting the corresponding critical surfaces and lines. In this context, we address the issue of quantum critical points at fixed densities, which appear as endpoints in the temperature-interaction phase diagram. We also compare our theoretical results, where applicable, with other approaches, including quantum Monte Carlo simulations.
We derive the equation of state of bosons in an optical lattice in the framework of the Bose-Hubbard model. Near the density-driven Mott transition, the expression of the pressure $P(\ensuremath{\mu},T)$ versus chemical potential and temperature is similar to that of a dilute Bose gas but with renormalized mass m∗{m}^{*}m∗ and scattering length a∗{a}^{*}a∗. Here m∗{m}^{*}m∗ is the mass of the elementary excitations at the quantum critical point governing the transition from the superfluid phase to the Mott-insulating phase, while a∗{a}^{*}a∗ is related to their effective interaction at low energy. We use a nonperturbative renormalization-group approach to compute these parameters as a function of the ratio t/Ut/Ut/U between hopping amplitude and on-site repulsion.
We present a theoretical study of the condensation of bosons in tight-binding bands corresponding to simple cubic, body-centered cubic, and face-centered cubic lattices. We have analyzed noninteracting bosons, weakly interacting bosons using the Bogoliubov method, and strongly interacting bosons through a renormalized Hamiltonian approach valid for the number of bosons per site less than or equal to unity. In all the cases studied, we find that bosons in a body-centered cubic lattice have the highest Bose condensation temperature. The growth of the condensate fraction of noninteracting bosons is found to be very close to that of free bosons. The interaction partially depletes the condensate at zero temperature and close to it, while enhancing it beyond this range below the Bose-Einstein condensation temperature. Strong interaction enhances the boson effective mass as the band-filling is increased and eventually localizes the bosons to form a Bose-Mott-Hubbard insulator for integer filling.
We study the thermodynamics near the generic (density-driven) superfluid--Mott-insulator transition in the three-dimensional Bose-Hubbard model using the nonperturbative renormalization-group approach. At low energy, the physics is controlled by the Gaussian fixed point and becomes universal. Thermodynamic quantities can then be expressed in terms of the universal scaling functions of the dilute Bose gas universality class while the microscopic physics enters only via two nonuniversal parameters, namely, the effective mass m∗{m}^{*}m∗ and the ``scattering length'' a∗{a}^{*}a∗ of the elementary excitations at the quantum critical point between the superfluid and Mott-insulating phases. A notable exception is the condensate density in the superfluid phase which is proportional to the quasiparticle weight Zqp{Z}_{\mathrm{qp}}Zqp​ of the elementary excitations. The universal regime is defined by ${m}^{*}{a}^{*}{}^{2}T\ensuremath{\ll}1$ and ${m}^{*}{a}^{*}{}^{2}|\ensuremath{\delta}\ensuremath{\mu}|\ensuremath{\ll}1$ or, equivalently, $|\overline{n}\ensuremath{-}{\overline{n}}_{c}|{a}^{*}{}^{3}\ensuremath{\ll}1$, where $\ensuremath{\delta}\ensuremath{\mu}=\ensuremath{\mu}\ensuremath{-}{\ensuremath{\mu}}_{c}$ is the chemical potential shift from the quantum critical point $(\ensuremath{\mu}={\ensuremath{\mu}}_{c},\phantom{\rule{0.28em}{0ex}}T=0)$ and $\overline{n}\ensuremath{-}{\overline{n}}_{c}$ the doping with respect to the commensurate density n‾c{\overline{n}}_{c}nc​ of the T=0T=0T=0 Mott insulator. We compute Zqp{Z}_{\mathrm{qp}}Zqp​, m∗{m}^{*}m∗, and a∗{a}^{*}a∗ and find that they vary strongly with both the ratio t/Ut/Ut/U between hopping amplitude and onsite repulsion and the value of the (commensurate) density n‾c{\overline{n}}_{c}nc​. Finally, we discuss the experimental observation of universality and the measurement of Zqp{Z}_{\mathrm{qp}}Zqp​, m∗{m}^{*}m∗, and a∗{a}^{*}a∗ in a cold-atomic gas in an optical lattice.
We investigate the temperature-dependent behavior emerging in the vicinity of the superfluid (SF) to Mott insulator (MI) transition of interacting bosons in a two-dimensional optical lattice, described by the Bose-Hubbard model. The equilibrium phase diagram at finite temperatures is computed by means of the cluster mean-field theory (CMF) where the effect of non-local correlations is analyzed systematically by finite-size scaling of the cluster size. The phase diagram exhibits a rich structure including a transition and a crossover of the SF and MI phases respectively to a normal fluid (NF) state at finite temperature. In order to characterize these phases, and the NF transition and crossover scales, we calculate, in addition to the condensate amplitude, the superfluid fraction, sound velocity and compressibility. The phase boundaries obtained by CMF with finite-size scaling agree quantitatively with quantum Monte Carlo (QMC) results as well as with experiments. The von Neumann entanglement entropy of a cluster exhibits critical enhancement near the SF-MI quantum critical point (QCP). We also discuss the behavior of the transition lines near this QCP at the particle-hole symmetric point located at the tip of a Mott lobe as well as away from particle-hole symmetry.
We investigate the zero-temperature phase diagram of interacting Bose gases in the presence of a simple cubic optical lattice, going beyond the regime where the mapping to the single-band Bose-Hubbard model is reliable. Our computational approach is a new hybrid quantum Monte Carlo method which combines algorithms used to simulate homogeneous quantum fluids in continuous space with those used for discrete lattice models of strongly correlated systems. We determine the critical interaction strength and optical lattice intensity where the superfluid-to-insulator transition takes place, considering also the regime of shallow optical lattices and strong interatomic interactions. The implications of our findings for the supersolid state of matter are discussed.
We present a nonperturbative renormalization-group approach to the Bose-Hubbard model. By taking as initial condition of the renormalization-group flow the (local) limit of decoupled sites, we take into account both local and long-distance fluctuations in a nontrivial way. This approach yields a phase diagram in very good quantitative agreement with quantum Monte Carlo simulations, and reproduces the two universality classes of the superfluid-Mott-insulator transition. The critical behavior near the multicritical points, where the transition takes place at constant density, agrees with the original predictions of Fisher et al. [Phys. Rev. B 40, 546 (1989)] based on simple scaling arguments. At a generic transition point, the critical behavior is mean-field like with logarithmic corrections in two dimensions. In the weakly correlated superfluid phase (far away from the Mott insulating phase), the renormalization-group flow is controlled by the Bogoliubov fixed point down to a characteristic (Ginzburg) momentum scale kG{k}_{G}kG​, which is much smaller than the inverse healing length kh{k}_{h}kh​. In the vicinity of the multicritical points, when the density is commensurate, we identify a sharp crossover from a weakly to a strongly correlated superfluid phase where the condensate density and the superfluid stiffness are strongly suppressed and both kG{k}_{G}kG​ and kh{k}_{h}kh​ are of the order of the inverse lattice spacing.