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arXiv:1102.0778 · Physical Review A

Density-wave patterns for fermionic dipolar molecules on a square optical lattice: Mean-field-theory analysis

Karlis Mikelsons, James K. Freericks

Published Apr 12, 2011• 32 citations
arXivHTMLPDF

Abstract

We model a system of ultracold fermionic dipolar molecules on a two-dimensional square lattice. Assuming that the molecules are in their nondegenerate hyperfine ground state, and that the dipole moment is polarized perpendicular to the plane (as in the recent experiments on $^{40}\mathrm{K}$-$^{87}\mathrm{Rb}$ molecules), we approximate these molecules as spinless fermions with long-range repulsive dipolar interactions. We use mean-field theory to obtain the restricted phase diagram as a function of the filling, the strength of interaction, and the temperature. We find a number of ordered density-wave phases in the system, as well as phase separation between these phases. A Monte Carlo analysis shows that the higher-period phases are usually suppressed in the exact solution.

DOI
10.1103/physreva.83.043609

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We model a system of ultracold fermionic dipolar molecules on a two-dimensional square lattice. Assuming that the molecules are in their nondegenerate hyperfine ground state, and that the dipole moment is polarized perpendicular to the plane (as in the recent experiments on 40K^{40}\mathrm{K}40K-87Rb^{87}\mathrm{Rb}87Rb molecules), we approximate these molecules as spinless fermions with long-range repulsive dipolar interactions. We use mean-field theory to obtain the restricted phase diagram as a function of the filling, the strength of interaction, and the temperature. We find a number of ordered density-wave phases in the system, as well as phase separation between these phases. A Monte Carlo analysis shows that the higher-period phases are usually suppressed in the exact solution.
We study a two-component mixture of fermionic dipoles in two dimensions at zero temperature, interacting via a purely repulsive 1/r31/{r}^{3}1/r3 potential. This model can be realized with ultracold atoms or molecules when their dipole moments are aligned in the confinement direction orthogonal to the plane. We characterize the unpolarized mixture by means of the diffusion Monte Carlo technique. Computing the equation of state, we identify the regime of validity for a mean-field theory based on a low-density expansion and compare our results with the hard-disk model of repulsive fermions. At high density, we address the possibility of itinerant ferromagnetism, namely, whether the ground state can be fully polarized in the fluid phase. Within the fixed-node approximation, we show that the accuracy of Jastrow-Slater trial wave functions, even with the typical two-body backflow correction, is not sufficient to resolve the relevant energy differences. By making use of the iterative-backflow improved trial wave functions, we observe no signature of a fully polarized ground state up to the freezing density.
Motivated by the search for quantum liquid crystal phases in a gas of ultracold atoms and molecules, we study the density-wave and nematic instabilities of dipolar fermions on the two-dimensional square lattice (in the $x\text{\ensuremath{-}}y$ plane) with dipoles pointing to the zzz direction. We determine the phase diagram using two complementary methods, the Hartree-Fock mean-field theory and the linear-response analysis of compressibility. Both give consistent results. In addition to the staggered $(\ensuremath{\pi},\ensuremath{\pi})$ density wave, over a finite range of densities and hopping parameters, the ground state of the system first becomes nematic and then smectic, when the dipolar interaction strength is increased. Both phases are characterized by the same broken fourfold (C4)({C}_{4})(C4​) rotational symmetry. The difference is that the nematic phase has a closed Fermi surface but the smectic does not. The transition from the nematic to the smectic phase is associated with a jump in the nematic order parameter. This jump is closely related to the Van Hove singularities. We derive the kinetic equation for collective excitations in the normal isotropic phase and find that the zero sound mode is strongly Landau damped and thus is not a well-defined excitation. Experimental implications of our results are discussed.
We study a system of ultracold fermionic polar molecules in a two-dimensional square lattice interacting via both the long-range dipole-dipole interaction and a short-range on-site attractive interaction. Singlet-superfluid, change density wave, and supersolid phases are found to exist in the system. We map out the zero-temperature phase diagram and find that the supersolid phase is considerably stabilized by the dipole-dipole interaction and thus can exist over a large region of filling factors. We study the melting of the supersolid phase with increasing temperature, map out a finite-temperature phase diagram of the system at fixed filling, and determine the parameter region where the supersolid phase can possibly be observed in experiments.
The recent experimental realization of dipolar Fermi gases near or below quantum degeneracy provides an opportunity to engineer Hubbard-like models with long-range interactions. Motivated by these experiments, we chart out the theoretical phase diagram of interacting dipolar fermions on the square lattice at zero temperature and half filling. We show that, in addition to p-wave superfluid and charge density wave order, two new and exotic types of bond order emerge generically in dipolar fermion systems. These phases feature homogeneous density but periodic modulations of the kinetic hopping energy between nearest or next-nearest neighbors. Similar, but manifestly different, phases of two-dimensional correlated electrons have previously only been hypothesized and termed "density waves of nonzero angular momentum." Our results suggest that these phases can be constructed flexibly with dipolar fermions, using currently available experimental techniques.
Strongly interacting ultracold dipolar molecules are a rich platform for quantum information and quantum simulation of phenomena relevant to condensed matter systems. This dissertation presents novel theoretical and computational studies of ultracold dipolar molecules relevant to these areas in three broad categories.First, the path integral ground state quantum Monte Carlo method is extended to simulations with both translational and rotational degrees of freedom, including the development of a novel estimator of the elementary excitation energies of a system with these degrees of freedom based on the well known Feynman-Bijl approximation. This is then used to study dipolar molecular ensembles confined to one-dimensional optical lattices. The ground state phase diagram is characterized with both a mean-field method and the aforementioned quantum Monte Carlo method. A quantum phase transition is found for very short optical lattice spacings or very large dipole moments. The prospects for experimentally realizing a system which exhibits this phase transition are discussed.Second, the path integral ground state quantum Monte Carlo method is utilized to study the ground state of dipole molecules confined to two-dimensional optical lattices. On square lattices a crossover from a weakly interacting disordered phase to a strongly interacting striped phase is found for short lattice spacings or large dipole moments. On triangular lattices a crossover between a disordered phase and a completely polarized phase is found, also for short lattice spacings or large dipole moments. The relevance of such simulations to self-assembled dipolar crystals in two dimensions is discussed and simulation results of these systems are presented. Simulations of polarized and harmonically confined molecular systems in two dimensions with translations and rotations are also presented and a realistic interaction potential using highly accurate ab initio quantum chemistry techniques is calculated for LiH--LiH interactions as a preliminary step toward developing a high quality trial wave function for the simulation of systems possessing both translational and rotational degrees of freedom.Finally, several novel applications for dipolar molecules confined to optical lattices are proposed. An experimental realization of a topological phase using 2Sigma^2\\Sigma2Sigma ground state molecules with applied near resonant microwave fields and transverse magnetic fields is proposed. A method to create an array of dipole-coupled two-level molecules exhibiting superradiance and possessing novel spectroscopic properties using 1Sigma^1\\Sigma1Sigma ground state molecules in the combination of a far off-resonant laser field and a moderate magnetic field is proposed. Additionally, a method to create entangled pairs of molecules using closed-shell dipolar molecules immersed in an intense far off-resonant laser field is reviewed and an extension in which parallel optical lattices are merged and molecules are allowed to collide in the presence of a far off-resonant laser field is proposed. Simulation results are presented indicating that a significant amount of entanglement may be generated in such a way in realistic molecular systems.
This work addresses the study of superfluid and supersolid phases of dipolar Fermi molecules lying in a two dimensional space. The prediction of these phases, performed within a mean field analysis, results from proposing a model in which interacting Fermi molecules are confined in a bilayer array of parallel lattices with square symmetry. As a result of the repulsive intralayer and attractive interlayer interactions between dipolar molecules, a checkerboard pattern and a paired superfluid regimes can emerge. The supersolid phase is identified as the spatial coexistence of density ordered and superfluid phases. The model here proposed can be implemented within the current experimental capabilities as a function of the interlayer separation and the application of an external electric field varying the dipolar interaction between molecules.