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arXiv:0903.3185 · Physical Review A

Ab initiodetermination of Bose-Hubbard parameters for two ultracold atoms in an optical lattice using a three-well potential

Philipp‐Immanuel Schneider, Sergey Grishkevich, Alejandro Sáenz

Published Jul 6, 2009• 41 citations
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Abstract

We calculate numerically the energy spectrum of the six dimensional problem of two interacting Bosons in a three-well optical lattice. The particles interact via a full Born-Oppenheimer potential, which can be adapted to model the behavior of the $s$-wave scattering length at Feshbach resonances. By adjusting the parameters of the corresponding Bose-Hubbard (BH) Hamiltonian the deviation between the numerical energy spectrum and the BH spectrum is minimized. This defines the optimal BH parameter set, which we compare to the standard parameters of the BH model. The range of validity of the BH model with these parameter sets is examined, and an analytical prediction of the interaction parameter is introduced. Furthermore, an extended BH model and implications due to the energy dependence of the scattering length and couplings to higher Bloch bands at a Feshbach resonance are discussed.

DOI
10.1103/physreva.80.013404

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We calculate numerically the energy spectrum of the six dimensional problem of two interacting Bosons in a three-well optical lattice. The particles interact via a full Born-Oppenheimer potential, which can be adapted to model the behavior of the sss-wave scattering length at Feshbach resonances. By adjusting the parameters of the corresponding Bose-Hubbard (BH) Hamiltonian the deviation between the numerical energy spectrum and the BH spectrum is minimized. This defines the optimal BH parameter set, which we compare to the standard parameters of the BH model. The range of validity of the BH model with these parameter sets is examined, and an analytical prediction of the interaction parameter is introduced. Furthermore, an extended BH model and implications due to the energy dependence of the scattering length and couplings to higher Bloch bands at a Feshbach resonance are discussed.
Based on the analytic model of Feshbach resonances in harmonic traps described in Schneider et al. [Phys. Rev. A 83, 030701(R) (2011)] a Bose-Hubbard model is introduced that provides an accurate description of two atoms in an optical lattice at a Feshbach resonance with only a small number of Bloch bands. The approach circumvents the problem that the eigenenergies in the presence of a delta-like coupling do not converge to the correct energies, if an uncorrelated basis is used. The predictions of the Bose-Hubbard model are compared to nonperturbative calculations for both the stationary states and the time-dependent wave function during an acceleration of the lattice potential. For this purpose, a square-well interaction potential is introduced, which allows for a realistic description of Feshbach resonances within nonperturbative single-channel calculations.
We numerically study the problem of two fermions in a three-dimensional optical lattice interacting via a zero-range Feshbach resonance and display the dispersions of the bound states as a two-particle band structure with unique features compared to typical single-particle band structures. We show that the exact two-particle solutions of a projected Hamiltonian may be used to define an effective two-channel, few-band model for the low-energy, low-density physics of many fermions at arbitrary s-wave scattering length. Our method applies to resonances of any width and can be adapted to multichannel situations or higher-ℓ pairing. In strong contrast to usual Hubbard physics, we find that pair hopping is significantly altered by strong interactions and the presence of the lattice, and the lattice induces multiple molecular bound states.
We analyze a system of two-component fermions, which interact via a Feshbach resonance in the presence of a three-dimensional lattice potential. By expressing a two-channel model of the resonance in the basis of Bloch states appropriate for the lattice, we derive an eigenvalue equation for the two-particle bound states, which is nonlinear in the energy eigenvalue. Compact expressions for the interchannel matrix elements, numerical methods for the solution of the nonlinear eigenvalue problem, and a renormalization procedure to remove ultraviolet divergences are presented. From the structure of the two-body solutions we identify the relevant degrees of freedom, which describe the resonance behavior in the lowest Bloch band. These degrees of freedom, which we call dressed molecules, form an effective closed channel in a many-body model of the resonance, the Fermi resonance Hamiltonian (FRH). It is shown how the properties of the FRH can be determined numerically by solving a projected lattice two-channel model at the two-particle level. As opposed to single-channel lattice models such as the Hubbard model, the FRH is valid for general sss-wave scattering length and resonance width. Hence, the FRH provides an accurate description of the BEC-BCS crossover for ultracold fermions on an optical lattice.
We study the scattering and the bound-state properties of two ultracold particles interacting via a short-range and a dipolar (long-range) interaction in a strictly 1D optical lattice. Our rigorous model take naturally into account the effects of the shape of the fundamental energy band and also of the role of the excited energy bands of the lattice. We first compare our exact results for a short-range interaction with the usual Bose-Hubbard (BH) model. By doing this, we highlight the effect of the excited bands, the non on-site interaction and the tunneling between distant neighbor that are not included into the usual BH model. A key result of our model is that the effective interaction deeply depend on the particle quasi-momenta and can then present a resonant behavior even for deep lattices. As a second phase of this study, we focus on the scattering of two polar particles in a lattice. The long-range interaction and the energy band structure of the lattice induce peculiar Wigner threshold laws. Our exact two-body calculations allow us to assess the validity of an extended Bose-Hubbard model for dipolar gases. This work was supported by the Agence Nationale de la Recherche (contract no. ANR-12-BS04-0020-01)
We show that, for ultracold neutral bosonic atoms held in a three-dimensional periodic potential or optical lattice, a Hubbard model with dominant, attractive three-body interactions can be generated. In fact, we derive that the effect of pairwise interactions can be made small or zero starting from the realization that collisions occur at the zero-point energy of an optical lattice site and the strength of the interactions is energy dependent from effective-range contributions. We determine the strength of the two- and three-body interactions for scattering from van der Waals potentials and near Fano-Feshbach resonances. For van der Waals potentials, which for example describe scattering of alkaline-earth atoms, we find that the pairwise interaction can only be turned off for species with a small negative scattering length, leaving the 88Sr^{88}\mathrm{Sr}88Sr isotope a possible candidate. Interestingly, for collisional magnetic Feshbach resonances this restriction does not apply and there often exist magnetic fields where the two-body interaction is small. We illustrate this result for several known narrow resonances between alkali-metal atoms as well as chromium atoms. Finally, we compare the size of the three-body interaction with hopping rates and describe limits due to three-body recombination.
We compute scattering and bound state properties for two ultracold molecules in a pure 1D optical lattice. We introduce reference functions with complex quasi-momentum that naturally account for the effect of excited energy bands. Our exact results for a short-range interaction are first compared with the simplest version of the standard Bose-Hubbard (BH) model. Such comparison allows us to highlight the effect of the excited bands, of the non-on-site interaction and of tunneling with distant neighbor, that are not taken into account in the BH model. The effective interaction can depend strongly on the particle quasi-momenta and can present a resonant behavior even in a deep lattice. As a second step, we study scattering of two polar particles in the optical lattice. Peculiar Wigner threshold laws stem from the interplay of the long range dipolar interaction and the presence of the energy bands. We finally assess the validity of an extended Bose-Hubbard model for dipolar gases based on our exact two-body calculations.