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arXiv:0912.1348 · Physical Review Letters

Microscopic Derivation of Hubbard Parameters for Cold Atomic Gases

Hans Peter Büchler

Published Mar 5, 2010• 96 citations
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Abstract

We study the exact solution for two atomic particles in an optical lattice interacting via a Feshbach resonance. The analysis includes the influence of all higher bands, as well as the proper renormalization of molecular energy in the closed channel. This exact solution allows for the precise determination of the parameters in the Hubbard model and the two-particle bound state energy. We identify the regime, where a single band Hubbard model fails to describe the scattering properties of the atoms as well as the bound states energies.

DOI
10.1103/physrevlett.104.090402

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We study the exact solution for two atomic particles in an optical lattice interacting via a Feshbach resonance. The analysis includes the influence of all higher bands, as well as the proper renormalization of molecular energy in the closed channel. This exact solution allows for the precise determination of the parameters in the Hubbard model and the two-particle bound state energy. We identify the regime, where a single band Hubbard model fails to describe the scattering properties of the atoms as well as the bound states energies.
We present a theory for ultracold atomic gases in an optical lattice near a Feshbach resonance. In the single-band approximation the theory describes atoms and molecules that can both tunnel through the lattice. Moreover, an avoided crossing between the two-atom and the molecular states occurs at every site. We determine the microscopic parameters of the generalized Hubbard model that describes this physics, using the experimentally known parameters of the Feshbach resonance in the absence of the optical lattice. As an application we also calculate the zero-temperature phase diagram of an atomic Bose gas in an optical lattice.
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.
A Feshbach resonance in the s-wave scattering length occurs if the energy of the two atoms in the incoming open channel is close to the energy of a bound state in a coupled closed channel. Starting from the microscopic Hamiltonian that describes this situation, we derive the effective atom–molecule theory for a Bose gas near a Feshbach resonance. In order to take into account all two-body processes, we have to dress the bare couplings of the atom–molecule model with ladder diagrams. This results in a quantum field theory that exactly reproduces the scattering amplitude of the atoms and the bound-state energy of the molecules. Since these properties are incorporated at the quantum level, the theory can be applied both above and below the critical temperature of the gas. Moreover, making use of the true interatomic potentials ensures that no divergences are encountered at any stage of the calculation. We also present the mean-field theory for the Bose–Einstein condensed phase of the gas.
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To test effective Hamiltonians for strongly interacting fermions in an optical lattice, we numerically find the energy spectrum for two fermions interacting across a Feshbach resonance in a double-well potential. From the spectrum, we determine the range of detunings for which the system can be described by an effective lattice model, and how the model parameters are related to the experimental parameters. We find that for a range of strong interactions the system is well described by an effective ttt-JJJ model, and the effective superexchange term, JJJ, can be smoothly tuned through zero on either side of unitarity. Right at and around unitarity, an effective one-band general Hubbard model is appropriate, with a finite and small onsite energy, due to a lattice-induced anharmonic coupling between atoms at the scattering threshold and a weakly bound Feshbach molecule in an excited center-of-mass state.
We present the theory of an atomic gas in an optical lattice near a Feshbach resonance. We derive from first principles a generalized Hubbard model that incorporates all the relevant two-body physics exactly, except for the background atom–atom scattering. For most atoms, the background interactions are negligible, but this is not true for 6 Li, which has an exceptionally large background scattering length near the experimentally relevant Feshbach resonance at 834 G. Therefore, we show how to include background atom–atom scattering by solving the on-site two-body Feshbach problem exactly. We apply the obtained solution to 6 Li and find that the background interactions indeed have a significant effect in this case.