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arXiv:1507.04740 · Physical Review A

Large effective three-body interaction in a double-well optical lattice

Saurabh Paul, Eite Tiesinga

Published Aug 3, 2015• 5 citations
arXivHTMLPDF

Abstract

We study ultracold atoms in an optical lattice with two local minima per unit cell and show that the low-energy states of a multiband Bose-Hubbard (BH) Hamiltonian with only pairwise interactions are equivalent to an effective single-band Hamiltonian with strong three-body interactions. We focus on a double-well optical lattice with a symmetric double well along the $x$ axis and single-well structure along the perpendicular directions. Tunneling and two-body interaction energies are obtained from an exact band-structure calculation and numerically constructed Wannier functions in order to construct a BH Hamiltonian spanning the lowest two bands. Our effective Hamiltonian is constructed from the ground state of the $N$-atom Hamiltonian for each unit cell obtained within the subspace spanned by the Wannier functions of the two lowest bands. The model includes hopping between ground states of neighboring unit cells. We show that such an effective Hamiltonian has strong three-body interactions that can be easily tuned by changing the lattice parameters. Finally, relying on numerical mean-field simulations, we show that the effective Hamiltonian is an excellent approximation of the two-band BH Hamiltonian over a wide range of lattice parameters, in both the superfluid and Mott insulator regions.

DOI
10.1103/physreva.92.023602

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We study ultracold atoms in an optical lattice with two local minima per unit cell and show that the low-energy states of a multiband Bose-Hubbard (BH) Hamiltonian with only pairwise interactions are equivalent to an effective single-band Hamiltonian with strong three-body interactions. We focus on a double-well optical lattice with a symmetric double well along the xxx axis and single-well structure along the perpendicular directions. Tunneling and two-body interaction energies are obtained from an exact band-structure calculation and numerically constructed Wannier functions in order to construct a BH Hamiltonian spanning the lowest two bands. Our effective Hamiltonian is constructed from the ground state of the NNN-atom Hamiltonian for each unit cell obtained within the subspace spanned by the Wannier functions of the two lowest bands. The model includes hopping between ground states of neighboring unit cells. We show that such an effective Hamiltonian has strong three-body interactions that can be easily tuned by changing the lattice parameters. Finally, relying on numerical mean-field simulations, we show that the effective Hamiltonian is an excellent approximation of the two-band BH Hamiltonian over a wide range of lattice parameters, in both the superfluid and Mott insulator regions.
Experiments with ultracold atoms in optical lattice have become a versatile testing ground to study diverse quantum many-body Hamiltonians. A single-band Bose-Hubbard (BH) Hamiltonian was first proposed to describe these systems in 1998 and its associated quantum phase-transition was subsequently observed in 2002. Over the years, there has been a rapid progress in experimental realizations of more complex lattice geometries, leading to more exotic BH Hamiltonians with contributions from excited bands, and modified tunneling and interaction energies. There has also been interesting theoretical insights and experimental studies on “un- conventional” Bose-Einstein condensates in optical lattices and predictions of rich orbital physics in higher bands. In this thesis, I present our results on several multi- band BH models and emergent quantum phenomena. In particular, I study optical lattices with two local minima per unit cell and show that the low energy states of a multi-band BH Hamiltonian with only pairwise interactions is equivalent to an effec- tive single-band Hamiltonian with strong three-body interactions. I also propose a second method to create three-body interactions in ultracold gases of bosonic atoms in a optical lattice. In this case, this is achieved by a careful cancellation of two contributions in the pair-wise interaction between the atoms, one proportional to the zero-energy scattering length and a second proportional to the effective range. I subsequently study the physics of Bose-Einstein condensation in the second band of a double-well 2D lattice and show that the collision aided decay rate of the con- densate to the ground band is smaller than the tunneling rate between neighboring unit cells. Finally, I propose a numerical method using the discrete variable repre- sentation for constructing real-valued Wannier functions localized in a unit cell for optical lattices. The developed numerical method is general and can be applied to a wide array of optical lattice geometries in one, two or three dimensions.
Recent experiments revealed the importance of higher-band effects for the Mott-insulator(MI)--superfluid transition(SF) of ultracold bosonic atoms or mixtures of bosons and fermions in deep optical lattices [Best et al., Phys. Rev. Lett. 102, 030408 (2009); Will et al., Nature (London) 465, 197 (2010)]. In the present work we derive an effective lowest-band Hamiltonian in three dimensions that generalizes the standard Bose-Fermi-Hubbard model taking these effects as well as nonlinear corrections of the tunneling amplitudes mediated by interspecies interactions into account. It is shown that a correct description of the lattice states in terms of the bare-lattice Wannier functions, rather than approximations such as harmonic-oscillator states, is essential. In contrast to self-consistent approaches based on effective Wannier functions, our approach captures the observed reduction of the superfluid phase for repulsive interspecies interactions.
We construct the effective lowest-band Bose-Hubbard model incorporating interaction-induced on-site correlations. The model is based on ladder operators for local correlated states, which deviate from the usual Wannier creation and annihilation, allowing for a systematic construction of the most appropriate single-band low-energy description in the form of the extended Bose-Hubbard model. A formulation of this model in terms of ladder operators not only naturally contains the previously found effective multibody interactions, but also contains multibody-induced single-particle tunneling, pair tunneling, and nearest-neighbor interaction processes of higher orders. An alternative description of the same model can be formulated in terms of occupation-dependent Bose-Hubbard parameters. These multiparticle effects can be enhanced using Feshbach resonances, leading to corrections which are well within experimental reach and of significance to the phase diagram of ultracold bosonic atoms in an optical lattice. We analyze the energy-reduction mechanism of interacting atoms on a local lattice site and show that this cannot be explained only by a spatial broadening of Wannier orbitals on a single-particle level, which neglects correlations.
In this dissertation, we develop simple single-band effective Hamiltonians for a fermionic gas across a Feshbach resonance in both a quasi-low-dimensional optical trap and a three-dimensional optical lattice. The proper theoretical description of these systems is nontrivial due to the multiband nature of the dimers which form in the ground state of the strongly interacting gas. For the quasi-low-dimensional case, we show that the ground state of the gas has a significant population in the excited levels of the transverse trap. Hence, the effective low-dimensional (single-band) Hamiltonian must include the effects of this real population frozen in many transverse modes. We accomplish this through the definition of a "dressed molecule" state which incorporates the excited fraction. For the three-dimensional case, a valid single-band lattice model at first seems impossible for strong interactions. However, we find effective single-band lattice models that remain valid by subtly accounting for the nontrivial structure of the on-site dimer. We perform explicit numerical calculations for two fermions in a double-well to demonstrate the range of validity of the models and their parameter values. In the process of investigation leading to these models we find other interesting results such as a ground state level crossing for three fermions in a single well and a set of Feshbach resonances induced by anharmonicity of the optical potential. The ultracold neutral atom experiments related to the work presented within provide a flexible and well-controlled tool to observe aspects of quantum physics not easily accessible or controllable in other systems. The combination of optical lattice trapping techniques with the ability to manipulate the interactions via a Feshbach resonance allows for the study of novel strongly correlated physics. This work addresses an important and fundamentally interesting issue for these systems and serves as a proper starting point for further theoretical studies in conjunction with experiment.
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.
We discuss the superfluid to Mott insulator transition of an atomic Bose gas in an optical lattice with high filling factors. We show that in this multiband situation, the long-wavelength physics is described by a single-band Bose-Hubbard model. We determine the many-body renormalization of the tunneling and interaction parameters in the effective Bose-Hubbard Hamiltonian, and consider the resulting model at nonzero temperatures. We show that, in particular, for a one- or two-dimensional optical lattice, the Mott-insulator phase is more difficult to realize than anticipated previously.