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Effect of the band structure in a rigorous two-body model with long-range interactions in 1D optical lattices

Tom Kristensen, Andrea Simoni, Jean–Michel Launay

Published May 23, 2016• 0 citations
OpenAlex

Abstract

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.

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arXiv:1612.06487•Physical Review A•Apr 7, 2017•4 citations
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 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)
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.
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.
We study the effective dipole–dipole interactions in ultracold quantum gases on optical lattices as a function of asymmetry in confinement along the principal axes of the lattice. In particular, we study the matrix elements of the dipole–dipole interaction in the basis of lowest band Wannier functions which serve as a set of low-energy states for many-body physics on the lattice. We demonstrate that, for shallow lattices in quasi-reduced dimensional scenarios, the effective interaction between dipoles in an optical lattice is non-algebraic in the inter-particle separation at short to medium distance on the lattice scale and has a long-range power-law tail, in contrast to the pure power-law behavior of the dipole–dipole interaction in free space. The modifications to the free-space interaction can be sizable; we identify differences of up to 36% from the free-space interaction at the nearest-neighbor distance in quasi-one-dimensional arrangements. The interaction difference depends essentially on asymmetry in confinement, due to the d-wave anisotropy of the dipole–dipole interaction. Our results do not depend on statistics, applying to both dipolar Bose–Einstein condensates and degenerate Fermi gases. Using matrix product state simulations, we demonstrate that use of the correct lattice dipolar interaction leads to significant deviations from many-body predictions using the free-space interaction. Our results are relevant to up and coming experiments with ultracold heteronuclear molecules, Rydberg atoms and strongly magnetic atoms in optical lattices.
We study the role of the dipolar-induced resonance (DIR) in a quasi-one-dimensional system of ultracold bosons. We first describe the effect of the DIR on two particles in a harmonic trap. Then, we consider a deep optical lattice loaded with ultracold dipolar bosons. In order to describe this system, we introduce a novel atom-dimer extended Bose-Hubbard model, which is the minimal model correctly accounting for the DIR. We analyze the impact of the DIR on the phase diagram at T=0T=0T=0 by exact diagonalization of a small-sized system. We show that the DIR strongly affects this phase diagram. In particular, we predict the mass density wave to occur in a narrow domain corresponding to weak nearest-neighbor interactions, and we predict the occurrence of a collapse phase for stronger dipolar interactions.
We study the effective Bloch-wave scattering of a spinless Fermi gas in one-dimensional (1D) optical lattices. By tuning the odd-wave scattering length, we find multiple resonances of Bloch waves scattering at the bottom (and the top) of the lowest band, beyond which an attractive (and a repulsive) two-body bound state starts to emerge. These resonances exhibit comparable widths in the deep lattice limit, and the finite interaction range plays an essential role in determining their locations. Based on exact two-body solutions, we construct an effective microscopic model for the low-energy scattering of fermions. The model can reproduce not only the scattering amplitudes of Bloch waves at the lowest-band bottom or top, but also the attractive or repulsive bound states within a reasonably large energy range below or above the band. These results lay the foundation for quantum simulating topological states in cold Fermi gases confined in 1D optical lattices.