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arXiv:physics/0507077 · Physical Review A

Suppression of inelastic collisions of polar Σ 1 state molecules in an electrostatic field

А. V. Avdeenkov, Masatoshi Kajita, John L. Bohn

Published Feb 6, 2006• 96 citations
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Abstract

Collisions of polar $^{1}\ensuremath{\Sigma}$ state molecules at ultralow energies are considered, within a model that accounts for long-range dipole-dipole interactions, plus rotation of the molecules. We predict a substantial suppression of dipole-driven inelastic collisions at high values of the applied electric field, namely, field values of several times ${B}_{0}∕\ensuremath{\mu}$. Here ${B}_{0}$ is the rotational constant, and $\ensuremath{\mu}$ is the electric dipole moment of molecules. The sudden large drop in the inelastic cross section is attributed to the onset of degeneracy between molecular rotational levels, which dramatically alters the scattering Hamiltonian. This capability could, in principle, be used to stabilize ultracold gases against collisional losses.

DOI
10.1103/physreva.73.022707

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Collisions of polar 1\ensuremathΣ^{1}\ensuremath{\Sigma}1\ensuremathΣ state molecules at ultralow energies are considered, within a model that accounts for long-range dipole-dipole interactions, plus rotation of the molecules. We predict a substantial suppression of dipole-driven inelastic collisions at high values of the applied electric field, namely, field values of several times B0∕\ensuremathμ{B}_{0}∕\ensuremath{\mu}B0​∕\ensuremathμ. Here B0{B}_{0}B0​ is the rotational constant, and \ensuremathμ\ensuremath{\mu}\ensuremathμ is the electric dipole moment of molecules. The sudden large drop in the inelastic cross section is attributed to the onset of degeneracy between molecular rotational levels, which dramatically alters the scattering Hamiltonian. This capability could, in principle, be used to stabilize ultracold gases against collisional losses.
The collisional stability of ultracold polar molecules in electrostatic traps is considered. Rate constants for collisions that drive molecules from weak-electric-field-seeking to strong-field-seeking states are estimated using a simple model that emphasizes long-range dipolar forces. The rate constants for collisional losses are found to vary substantially as a function of molecular parameters used in the model, such as dipole moment, mass, and the splitting of the molecular $\ensuremath{\Lambda}$ doublet. Varying these parameters over physically reasonable ranges yields rate constants as low as ${10}^{\ensuremath{-}20} {\mathrm{cm}}^{3}/\mathrm{sec}$ and as high as ${10}^{\ensuremath{-}10} {\mathrm{cm}}^{3}/\mathrm{sec}.$ Nevertheless, the loss rates rise dramatically in the presence of the externally applied trapping electric field. For this reason it is argued that electrostatic traps are likely to be less stable against collisional losses than their magnetic counterparts.
Two elementary models of molecular structure are used to investigate inelastic collisions in cold trapped dipolar gases. A two-state model of a polar molecule (such as one with a Λ-doublet) permits analytic description of the inelastic collision process at energies considerably higher than the gap energy, predicting rate constants and cross sections given by elementary formulae. Alternatively, a three-state model of a rotor molecule in an electric field is investigated, with resultant rate constants and cross sections scaling simply with molecular mass, rotational constant, dipole moment and polarizing field strength. Semiclassical inelastic collision cross sections and rate constants are demonstrated to depend strongly on the model used, especially as regards their dependence on the polarizing field. Inelastic cross sections among doublet dipoles decrease with increasing field strength, while they increase in proportion to the square of the field strength for collisions between rotor dipoles.
The prospects for shielding ultracold, paramagnetic, dipolar molecules from inelastic and chemical collisions are investigated. Molecules placed in their first rotationally excited states are found to exhibit effective long-range repulsion for applied electric fields above a certain critical value, as previously shown for nonparamagnetic molecules. This repulsion can safely allow the molecules to scatter while reducing the risk of inelastic or chemically reactive collisions. Several molecular species of $^{2}\mathrm{\ensuremath{\Sigma}}$ molecules of experimental interest---RbSr, SrF, BaF, and YO---are considered, and all are shown to exhibit orders of magnitude suppression in quenching rates in a sufficiently strong laboratory electric field. It is further shown that, for these molecules described by Hund's coupling case (b), electronic and nuclear spins play the role of spectator with respect to the shielding.
Inelastic collisions between dipolar molecules, assumed to be trapped in a static electric field at cold (> 10−3K) temperatures, are investigated and compared with elastic collisions. For molecules with a Λ-doublet energy-level structure, a dipole moment arises because of the existence of two nearly degenerate states of opposite parity, and the collision of two such dipoles can be solved entirely analytically in the energy range of interest. Cross sections and rate constants are found to satisfy simple, universal formulas. In contrast, for molecules in a Σ electronic ground state, the static electric field induces a dipole moment in one of three rotational sublevels. Collisions between two rotor dipoles are calculated numerically; the results scale simply with molecule mass, rotational constant, dipole moment, and field strength. It might be expected that any particles interacting only under the influence of the dipole-dipole interaction would show similar behavior; however, the most important and general result of this research is that at cold temperatures inelastic rate constants and cross sections for dipoles depend strongly upon the internal structure of the molecules. The most prominent difference between the Λ-doublet and rotor molecules is variation of the inelastic cross section with applied field strength. For Λ-doublet dipoles, cross sections decrease with increasing field strength. For rotor dipoles, cross sections increase proportionally with the square of field strength. Furthermore, the rate constants of the two types of molecules depend very differently on the angular orientations of the dipoles in the electric field.
Ultracold collisions of polar OH molecules are considered in the presence of an electrostatic field. The field exerts a strong influence on both elastic and state-changing inelastic collision rate constants, leading to clear experimental signatures that should help disentangle the theory of cold molecule collisions. Based on the collision rates, we discuss the prospects for evaporative cooling of electrostatically trapped OH. We also find that the scattering properties at ultralow temperatures prove to be remarkably independent of the details of the short-range interaction, owing to avoided crossings in the long-range adiabatic potential curves. The behavior of the scattering rate constants is qualitatively understood in terms of a novel set of long-range states of the [OH]2[\mathrm{OH}{]}_{2}[OH]2​ dimer.
Collisions at ultracold temperatures between ${}^{1}\phantom{\rule{-0.16em}{0ex}}\ensuremath{\Sigma}$-state diatomic polar molecules in a circularly polarized microwave field are theoretically analyzed. We demonstrate that elastic and inelastic collisions of polar molecules at ultracold temperatures are affected by an external microwave field and that they are enhanced at resonance frequencies. We show that the collision dynamics of polar molecules in a microwave field is largely determined by the long-range dipole-dipole interaction. Through this interaction, two polar molecules can resonantly exchange internal energy by undergoing a transition between neighboring rotational levels. This process may stabilize the system and enable the successive evaporative cooling of molecules. This paper discusses fermionic polar molecules at ultralow temperatures (1 $\ensuremath{\mu}$K).