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arXiv:1107.2770 · Physical Review A

Theoretical description of two ultracold atoms in finite three-dimensional optical lattices using realistic interatomic interaction potentials

Sergey Grishkevich, Simon Sala, Alejandro Sáenz

Published Dec 12, 2011• 25 citations
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Abstract

A theoretical approach is described for an exact numerical treatment of a pair of ultracold atoms interacting via a central potential and that are trapped in a finite three-dimensional optical lattice. The coupling of center-of-mass and relative-motion coordinates is treated using an exact diagonalization (configuration-interaction) approach. The orthorhombic symmetry of an optical lattice with three different but orthogonal lattice vectors is explicitly considered as is the fermionic or bosonic symmetry in the case of indistinguishable particles.

DOI
10.1103/physreva.84.062710

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•Jan 1, 2004•0 citations
A theoretical approach is described for an exact numerical treatment of a pair of ultracold atoms interacting via a central potential and that are trapped in a finite three-dimensional optical lattice. The coupling of center-of-mass and relative-motion coordinates is treated using an exact diagonalization (configuration-interaction) approach. The orthorhombic symmetry of an optical lattice with three different but orthogonal lattice vectors is explicitly considered as is the fermionic or bosonic symmetry in the case of indistinguishable particles.
A theoretical approach was developed that allows for a full numerical description of a pair of ultracold atoms trapped in a three-dimensional optical lattice. This approach includes the possible coupling between centre-of-mass and relative motion coordinates in a configuration-interaction type formulation. The atoms are allowed to interact by their full interaction potential that is, presently, only limited to be central. With the aid of the newly developed method deviations from the harmonic approximation are discussed for the heteronuclear 87 Rb- 40 K pair.
A theoretical approach was developed for an exact numerical description of a pair of ultracold atoms interacting via a central potential, which is trapped in a three-dimensional optical lattice. The coupling of center-of-mass and relative-motion coordinates is explicitly considered using a configuration-interaction (exact-diagonalization) technique. Deviations from the harmonic approximation are discussed for several heteronuclear alkali-metal atom pairs trapped in a single site of an optical lattice. The consequences are discussed for the analysis of a recent experiment [C. Ospelkaus et al., Phys. Rev. Lett. 97, 120402 (2006)] in which radio-frequency association was used to create diatomic molecules from a fermionic and a bosonic atom and to measure their binding energies close to a magnetic Feshbach resonance.
We discuss interacting and noninteracting one dimensional atomic systems trapped in an optical lattice plus a parabolic potential. We show that, in the tight-binding approximation, the noninteracting problem is exactly solvable in terms of Mathieu functions. We use the analytic solutions to study the collective oscillations of ideal bosonic and fermionic ensembles induced by small displacements of the parabolic potential. We treat the interacting boson problem by numerical diagonalization of the Bose-Hubbard Hamiltonian. From analysis of the dependence upon lattice depth of the low-energy excitation spectrum of the interacting system, we consider the problems of ``fermionization'' of a Bose gas, and the superfluid-Mott insulator transition. The spectrum of the noninteracting system turns out to provide a useful guide to understanding the collective oscillations of the interacting system, throughout a large and experimentally relevant parameter regime.
We consider ppp-wave pairing of single hyperfine state and sss-wave pairing of two hyperfine states ultracold atomic gases trapped in quasi-two-dimensional optical lattices. First, we analyze superfluid properties of ppp-wave and sss-wave symmetries in the strictly weak coupling BCS regime where we discuss the order parameter, chemical potential, critical temperature, atomic compressibility, and superfluid density as a function of filling factor for tetragonal and orthorhombic optical lattices. Second, we analyze superfluid properties of ppp-wave and sss-wave superfluids in the evolution from the BCS to Bose-Einstein condensation regimes at low temperatures $(T\ensuremath{\approx}0)$, where we discuss the changes in the quasiparticle excitation spectrum, chemical potential, atomic compressibility, Cooper pair size, and momentum distribution as a function of filling factor and interaction strength for tetragonal and orthorhombic optical lattices.
We analyze the dynamics of ultracold atoms in optical lattices induced by a sudden shift of the underlying harmonic trapping potential. In order to study the effect of strong interactions, dimensionality, and lattice topology on transport properties, we consider bosonic atoms with arbitrarily strong repulsive interactions on a two-dimensional square lattice and a hexagonal lattice. On the square lattice we find insulating behavior for weakly interacting atoms and slow relaxation for strong interactions, even when a Mott plateau is present, which in one dimension blocks the dynamics. On the hexagonal lattice the center of mass relaxes to the new equilibrium for any interaction strength.
We study properties of ultracold quantum gases trapped in 1D and under the influence of an underlying optical lattice. We analyze both fermionic and bosonic systems following different numerically exact approaches, like quantum Monte Carlo for soft-core bosons and two-species fermions, and a recently developed exact approach for HCB. The exposition is organized as follows. In Chap. 2, we study single species degenerated fermions on 1D lattices. We show that a splitting of the system takes place in a region of the spectrum with eigenstates that have a non-vanishing weight only in a fraction of the system. We also show that if on top of the lattice an alternating potential is introduced, doubling the original periodicity, an additional slicing' of the system can be achieved. The width and number of such regions can be controlled in a given energy range by the amplitude of the new modulation. By filling these systems the ground state may exhibit insulating regions due to the presence of local gaps, which can be observed in the local density of states. As a complement to these 1D results we present in Appendix A results obtained in 2D lattices. In Chap. 3 we review in some detail the two quantum Monte Carlo (QMC) techniques that are relevant to our study of confined soft-core bosons and two-species fermions on optical lattices, the worldline QMC and the zero temperature projector QMC, respectively. The basis of the classical Monte Carlo method are also presented, included a proof of the Central Limit theorem (Appendix B) that establishes its foundations. Properties of soft-core bosons confined on optical lattices are presented in Chap. 4. QMC simulations show that due to the presence of the slowly varying confining potential the concept of commensurability, typical for periodic systems, loses its meaning. Mott domains appears for a continuous range of fillings and always coexist with superfluid phases, as it was mentioned before. The latter feature is reflected by the behavior of the global compressibility, which never vanishes. A local compressibility, proportional to the variance of the local density, is defined in order to characterize the local Mott-insulating phases. Finally, a phase diagram for trapped systems is also presented. In Chap. 5 we study the ground state properties of two-components fermions confined on optical lattices. Like for the bosonic case, Mott domains also appear for a continuous range of fillings and always coexist with compressible phases. We define a local order parameter (that we denominate local compressibility), which characterizes the Mott insulating phases in an unambiguous way. By means of this local compressibility, we study in detail the interphase between the metallic and insulating region finding that critical behavior sets in revealing a new critical exponent. Furthermore, the behavior of the local compressibility and the variance of the density are found to be universal in this case, independently of the confining potential and the strength of the interaction, as usual in critical phenomena. We present in Chap. 6 a recently developed exact numerical approach that allows to study ground state properties of HCB confined on 1-D lattices. This exact treatment is applied to study the off-diagonal behavior of the one-particle density matrix (OPDM) and related quantities in the equilibrium case. We find that the OPDM decays as a power-law x^-1/2 for large-x, irrespective of the confining potential chosen. The power-law above is shown to determine the scaling of the occupation of the lowest natural orbital in the thermodynamic limit. This scaling and its finite size corrections are also studied for arbitrary powers of the confining potential. In addition, we find a power-law decay of the NO occupations at low densities, and show that its exponent is also universal. The low density limit in the lattice, equivalent to continuous systems, is also analyzed in detail. The approach above is generalized in Chap. 7 to study the non-equilibrium dynamics of HCB in 1-D configurations with an underlying lattice. The presence of the lattice enables the creation of pure Fock states of HCB (a HCB per lattice site) where there is no coherence in the system. We show that quasi-long range correlations develop in the equal-time-one-particle density matrix when such states are allowed to evolve freely, and that they lead to the formation of quasi-condensates of HCB at finite momentum. In addition,we obtain an universal power-law describing the population of the quasi-condensate as a function of time. Finally, we discuss how such systems can be used to create atom lasers with a wave-length that can be controlled through the lattice parameter.