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arXiv:1401.1961 · Physical Review A

Effective Dirac equation for ultracold atoms in optical lattices: Role of the localization properties of the Wannier functions

Xabier Lopez-Gonzalez, Jacopo Sisti, Giulio Pettini, Michele Modugno

Published Mar 6, 2014• 6 citations
arXivHTMLPDF

Abstract

We review the derivation of the effective Dirac equation for ultracold atoms in one-dimensional bichromatic optical lattices, following the proposal by Witthaut et al. [Phys. Rev. A 84, 033601 (2011)]. We discuss how such a derivation---based on a suitable rotation of the Bloch basis and on a coarse-graining approximation---is affected by the choice of the Wannier functions entering the coarsening procedure. We show that in general the Wannier functions obtained by rotating the maximally localized Wannier functions for the original Bloch bands can be sufficiently localized for justifying the coarse-graining approximation. We also comment on the relation between the rotation needed to achieve the Dirac form and the standard Foldy-Wouthuysen transformation. Our results provide a solid ground for the interpretation of the experimental results by Salger et al. [Phys. Rev. Lett. 107, 240401 (2011)] in terms of an effective Dirac dynamics.

DOI
10.1103/physreva.89.033608

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We review the derivation of the effective Dirac equation for ultracold atoms in one-dimensional bichromatic optical lattices, following the proposal by Witthaut et al. [Phys. Rev. A 84, 033601 (2011)]. We discuss how such a derivation---based on a suitable rotation of the Bloch basis and on a coarse-graining approximation---is affected by the choice of the Wannier functions entering the coarsening procedure. We show that in general the Wannier functions obtained by rotating the maximally localized Wannier functions for the original Bloch bands can be sufficiently localized for justifying the coarse-graining approximation. We also comment on the relation between the rotation needed to achieve the Dirac form and the standard Foldy-Wouthuysen transformation. Our results provide a solid ground for the interpretation of the experimental results by Salger et al. [Phys. Rev. Lett. 107, 240401 (2011)] in terms of an effective Dirac dynamics.
We study the dynamics of ultracold atoms in tailored bichromatic optical lattices. By tuning the lattice parameters, one can readily engineer the band structure and realize a Dirac point, i.e., a true crossing of two Bloch bands. The dynamics in the vicinity of such a crossing is described by the one-dimensional Dirac equation, which is rigorously shown beyond the tight-binding approximation. Within this framework we analyze the effects of an external potential and demonstrate numerically that it is possible to demonstrate Klein tunneling with current experimental setups.
Abstract We obtain ab initio the Hubbard parameters for Rydberg-dressed atoms in a one-dimensional (1D) sinusoidal optical lattice on the basis of maximally-localized Wannier states. Finite range, soft-core interatomic interactions become the trait of Rydberg admixed atoms, which can be extended over many neighboring lattice sites. In contrast to dipolar gases, where the interactions follow an inverse cubic law, the key feature of Rydberg-dressed interactions is the possibility of making neighboring couplings to the same magnitude as that of the onsite ones. The maximally-localized Wannier functions (MLWFs) are typically calculated via a spread-minimization procedure (Marzari N and Vanderbilt D 1997 Phys. Rev. B 56 12847 ) and are always found to be real functions apart from a trivial global phase when an isolated set of Bloch bands are considered. For an isolated single Bloch band, the above procedure reduces to a simple quasi-momentum-dependent unitary phase transformation. Here, instead of minimizing the spread, we employ a diagonal phase transformation which eliminates the imaginary part of the Wannier functions. The resulting Wannier states are found to be maximally localized and in exact agreement with those obtained via a spread-minimization procedure. Using these findings, we calculate the Hubbard couplings from the Rydberg admixed interactions, including dominant density-assisted tunneling (DAT) coefficients. Finally, we provide realistic lattice parameters for the state-of-the-art experimental Rydberg-dressed rubidium setup.
We discuss how to construct tight-binding models for ultracold atoms in honeycomb potentials, by means of the maximally localized Wannier functions (MLWFs) for composite bands introduced by Marzari and Vanderbilt [Phys. Rev. B 56, 12847 (1997)]. In particular, we work out the model with up to third-nearest neighbors, and provide explicit calculations of the MLWFs and of the tunneling coefficients for the graphenelike potential with two degenerate minima per unit cell. Finally, we discuss the degree of accuracy in reproducing the exact Bloch spectrum of different tight-binding approximations, in a range of typical experimental parameters.
Optical lattices provide ideal experimental tools for simulating a wide variety of physical systems. They exhibit excellent coherence properties, their microscopic dynamics are well-understood, and they can be dynamically controlled with great precision. Recent advances in cooling and trapping gases of dipolar molecules and Rydberg atoms have further increased the versatility of optical lattices as quantum simulators, particularly for solid state systems possessing long-range interactions. In this thesis we further examine the microscopic properties of cold atoms trapped in an optical lattice, going beyond the case where the lattice axes are orthogonal. We present a transformation of the single-particle energy eigenstates to a complete, orthonormal basis of so-called 'generalised Wannier functions' that are localised to each lattice site. Generalised Wannier functions, as opposed to ordinary Wannier functions, are formed by mixing states between bands and are required when the bands are degenerate. We modify an algorithm devised by Marzari and Vanderbilt (Phys. Rev. B 56(20) 12847) for calculating maximally localised generalised Wannier functions, specifically to determine these functions for optical lattice systems of arbitrary geometry, including those with degenerate lower bands. Moreover, we overcome an issue with the initialisation of the original algorithm to find the maximally localised set without fail. We then present results for a variety of optical lattice systems in one- and two-dimensions, including hexagonal and Kagomé geometries. In each case we use the generalised Wannier functions to calculate the hopping and interaction parameters, and thus determine a reduced form of the system's Hamiltonian that contains only local interactions. We also study two spin-1/2 systems with long-range interactions as paradigm examples of the models that can be simulated using optical lattices loaded with dipolar molecules. We first examine the critical properties of a 1D spin-1/2 Ising chain possessing exponentially decaying interactions as the range of the interactions is increased. Using the infinite density matrix renormalisation group method, we calculate the location of the critical point and observe a smooth approach to the classical mean-field result in the limit of infinite-ranged interactions. We go on to consider the quantum dynamics of a single spin-1/2 coupled to a bath of interacting spins as a model for decoherence in solid state quantum memories. The large degree of symmetry of the bath, described by the infinite-ranged Lipkin-Meshkov-Glick model, allows us to find parameter regimes where the initial qubit state is revived at well-defined times after the qubit preparation. We observe that these times may become independent of the bath size for large baths and thus enable faithful qubit storage even in the presence of strong coupling to the bath.
We propose a numerical method using the discrete variable representation (DVR) for constructing real-valued Wannier functions localized in a unit cell for both symmetric and asymmetric periodic potentials. We apply these results to finding Wannier functions for ultracold atoms trapped in laser-generated optical lattices. Following S. Kivelson [Phys. Rev. B 26, 4269 (1982)], for a symmetric lattice with inversion symmetry, we construct Wannier functions as eigenstates of the position operators $\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{x}, \stackrel{\ifmmode \hat{}\else \^{}\fi{}}{y}$, and $\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{z}$ restricted to single-particle Bloch functions belonging to one or more bands. To ensure that the Wannier functions are real-valued, we numerically obtain the band structure and real-valued eigenstates using a uniform Fourier grid DVR. We then show, by a comparison of tunneling energies, that the Wannier functions are accurate for both inversion-symmetric and asymmetric potentials to better than 10 significant digits when using double-precision arithmetic. The calculations are performed for an optical lattice with double-wells per unit cell with tunable asymmetry along the xxx axis and a single sinusoidal potential along the perpendicular directions. Localized functions at the two potential minima within each unit cell are similarly constructed, but using a superposition of single-particle solutions from the two lowest bands. We finally use these localized basis functions to determine the two-body interaction energies in the Bose-Hubbard model and show the dependence of these energies on lattice asymmetry.