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arXiv:1703.03839 · Physical Review A

Pendular trapping conditions for ultracold polar molecules enforced by external electric fields

Ming Li, Alexander N. Petrov, Constantinos Makrides, Eite Tiesinga, Svetlana Kotochigova

Published Jun 26, 2017• 7 citations
arXivHTMLPDF

Abstract

We theoretically investigate trapping conditions for ultracold polar molecules in optical lattices when external magnetic and electric fields are simultaneously applied. Our results are based on an accurate electronic-structure calculation of the polar $^{23}\mathrm{Na}^{40}\mathrm{K}$ polar molecule in its absolute ground state combined with a calculation of its rovibrational-hyperfine motion. We find that an electric field strength of $5.26(15)$ kV/cm and an angle of $54.{7}^{\ensuremath{\circ}}$ between this field and the polarization of the optical laser lead to a trapping design for $^{23}\mathrm{Na}^{40}\mathrm{K}$ molecules where decoherence due to electric field strength and laser-intensity fluctuations, as well as fluctuations in the direction of its polarization, are kept to a minimum. One-standard-deviation systematic and statistical uncertainties are given in parenthesis. Under such conditions, pairs of hyperfine-rotational states of $v=0$ molecules, used to induce tunable dipole-dipole interactions between them, experience ultrastable, matching trapping forces.

DOI
10.1103/physreva.95.063422

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We theoretically investigate trapping conditions for ultracold polar molecules in optical lattices when external magnetic and electric fields are simultaneously applied. Our results are based on an accurate electronic-structure calculation of the polar 23Na40K^{23}\mathrm{Na}^{40}\mathrm{K}23Na40K polar molecule in its absolute ground state combined with a calculation of its rovibrational-hyperfine motion. We find that an electric field strength of 5.26(15)5.26(15)5.26(15) kV/cm and an angle of 54.7\ensuremath∘54.{7}^{\ensuremath{\circ}}54.7\ensuremath∘ between this field and the polarization of the optical laser lead to a trapping design for 23Na40K^{23}\mathrm{Na}^{40}\mathrm{K}23Na40K molecules where decoherence due to electric field strength and laser-intensity fluctuations, as well as fluctuations in the direction of its polarization, are kept to a minimum. One-standard-deviation systematic and statistical uncertainties are given in parenthesis. Under such conditions, pairs of hyperfine-rotational states of v=0v=0v=0 molecules, used to induce tunable dipole-dipole interactions between them, experience ultrastable, matching trapping forces.
We determine trapping conditions for ultracold polar molecules, where pairs of internal states experience identical trapping potentials. Such conditions could ensure that detrimental effects of inevitable inhomogeneities across an ultracold sample are significantly reduced. In particular, we investigate the internal rovibronic and hyperfine quantum states of ultracold fermionic ground-state 40K87Rb polar molecules, when static magnetic, static electric and trapping laser fields are simultaneously applied. Understanding the effect of changing the relative orientation or polarisation of these three fields is of crucial importance for the creation of decoherence-free subspaces built from two or more rovibronic states. Moreover, we evaluate the induced dipole moment of the molecule in the presence of these fields, which will allow control of interactions between molecules in different sites of an optical lattice, and study the influence of the interaction anisotropy on the ability to entangle polar molecules.
We theoretically investigate the interaction of polar molecules with optical lattices and microwave fields. We demonstrate the existence of frequency windows in the optical domain where the complex internal structure of the molecule does not influence the trapping potential of the lattice. In such frequency windows the Franck-Condon factors are so small that near-resonant interaction of vibrational levels of the molecule with the lattice fields have a negligible contribution to the polarizability, and light-induced decoherences are kept to a minimum. In addition, we show that microwave fields can induce a tunable dipole-dipole interaction between ground-state rotationally symmetric (J=0)(J=0)(J=0) molecules. A combination of a carefully chosen lattice frequency and microwave-controlled interaction between molecules will enable trapping of polar molecules in a lattice and possibly realize molecular quantum logic gates. Our results are based on ab initio relativistic electronic structure calculations of the polar KRb and RbCs molecules combined with calculations of their rovibrational motion.
Selection of state-insensitive or ``magic'' trapping conditions with ultracold atoms or molecules, where pairs of internal states experience identical trapping potentials, brings substantial benefits to precision measurements and quantum computing schemes. Working at such conditions could ensure that the detrimental effects of inevitable inhomogeneities across an ultracold sample are significantly reduced. However, this aspect of confinement remains unexplored for ultracold polar molecules. Here, we present means to control the ac Stark shift of rotational states of ultracold diatomic polar molecules, when subjected to both trapping laser light and an external electric field. We show that both the strength and relative orientation of the two fields influence the trapping potential. In particular, we predict ``magic electric field strengths'' and a ``magic angle,'' where the Stark shift is independent of the dc external field for certain rotational states of the molecule.
The creation of a gas of ultracold polar molecules with a high phase space density brings new possibilities beyond experiments with ultracold atomic gases. In particular, long-range, anisotropic, and tunable dipole-dipole interactions open the way for novel quantum gases, with applications including strongly correlated many-body systems, and ultracold chemistry. This thesis will present the final steps to complete control over both internal and external degrees of freedom of the molecule which allows us to control, and even completely suppress, the chemical reactions between molecules. First, the control over internal states has been achieved through coherent state transfer to the ro-vibronic ground state and coherent manipulations of the hyperfine and rotational states with microwave radiation. Second, external degrees of freedom are controlled by loading the gas into an optical lattice. With the molecules loaded into a one-dimensional lattice, the orientation of the molecular collisions is controlled by manipulating both internal (hyperfine states) and external (motional states in the direction of tight confinement) degrees of freedom. Most striking is that by preparing the molecules all in the lowest band of the lattice in the same internal state, the molecular collisions can only occur in a side-by-side" orientation, where the chemical reaction rate is suppressed by the repulsive dipole-dipole interactions. The chemical reaction can be suppressed completely by further constraining the motion in the trap in a strong 3D lattice. Here we see lifetimes longer than 20 s, limited by o-resonant light scattering. Finally, the ac polarizability of the molecules is explored and controlled. The different rotational states of the molecule have different polarizabilities and will experience a different trapping force in both the optical dipole trap or lattice. We show that there is a magic angle" between the quantization axis and the polarization of the trapping laser at which the polarizabilities of two different rotational states can be matched, eliminating dephasing and allowing for coherent manipulations between rotational states.
In proposals for quantum computers using arrays of trapped ultracold polar molecules as qubits, a strong external field with appreciable gradient is imposed in order to prevent quenching of the dipole moments by rotation and to distinguish among the qubit sites. That field induces the molecular dipoles to undergo pendular oscillations, which markedly affect the qubit states and the dipole-dipole interaction. We evaluate entanglement of the pendular qubit states for two linear dipoles, characterized by pairwise concurrence, as a function of the molecular dipole moment and rotational constant, strengths of the external field and the dipole-dipole coupling, and ambient temperature. We also evaluate a key frequency shift, △ω, produced by the dipole-dipole interaction. Under conditions envisioned for the proposed quantum computers, both the concurrence and △ω become very small for the ground eigenstate. In principle, such weak entanglement can be sufficient for operation of logic gates, provided the resolution is high enough to detect the △ω shift unambiguously. In practice, however, for many candidate polar molecules it appears a challenging task to attain adequate resolution. Simple approximate formulas fitted to our numerical results are provided from which the concurrence and △ω shift can be obtained in terms of unitless reduced variables.
In proposals for quantum computers using arrays of trapped ultracold polar molecules as qubits, a strong external field with appreciable gradient is imposed in order to prevent quenching of the dipole moments by rotation and to distinguish among the qubit sites. That field induces the molecular dipoles to undergo pendular oscillations, which markedly affect the qubit states and the dipole-dipole interaction. We evaluate entanglement of the pendular qubit states for two linear dipoles, characterized by pairwise concurrence, as a function of the molecular dipole moment and rotational constant, strengths of the external field and the dipole-dipole coupling, and ambient temperature. We also evaluate a key frequency shift, △ω, produced by the dipole-dipole interaction. Under conditions envisioned for the proposed quantum computers, both the concurrence and △ω become very small for the ground eigenstate. In principle, such weak entanglement can be sufficient for operation of logic gates, provided the resolution is high enough to detect the △ω shift unambiguously. In practice, however, for many candidate polar molecules it appears a challenging task to attain adequate resolution. Simple approximate formulas fitted to our numerical results are provided from which the concurrence and △ω shift can be obtained in terms of unitless reduced variables.