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Chinese Physics B

Mixed-field effect at the hyperfine level of 127I79Br in its rovibronic ground state: Toward field manipulation of cold molecules

Zhengbin 正斌 Bao 包, Defu 得富 Wang 王, Xu-Ping Shao, Yunxia 云霞 Huang 黄, Xiaohua 晓华 Yang 杨

Published Jul 11, 2023• 5 citations
Publisher

Abstract

The mixed-field effect at the hyperfine level of the rovibronic ground state of the 127I79Br (X1Σ, v = 0, J = 0) molecule is computed on the J–I uncoupled basis of |JMJI 1 M 1 I 2 M 2〉, where J is the molecular total angular momentum excluding nuclear spin, MJ is the projection number of J, I 1 and I 2 are the nuclear spins of the iodine and bromine atoms, and M 1 and M 2 are the projection numbers of I 1 and I 2, respectively. When the two applied electric and magnetic fields are parallel, the perturbations are rare and only one perturbation is observed in a relatively large field regime in our computation range. However, when the two fields are off-parallel, the perturbations increase significantly and some sublevels show the Feshbach-like resonance phenomenon. Therefore, such sublevels transit between weak-field seeking and strong-field seeking repeatedly, which can be utilized to enhance or suppress cold molecular collision and chemical reaction rates. Such behavior of the molecular hyperfine structure in the mixed off-parallel fields may also be utilized to construct an electric-field-assisted anti-Helmholtz magnetic trap for cold molecules and to realize evaporative cooling of cold molecules (sub-mK) into the ultracold regime (μK).

DOI
10.1088/1674-1056/ace61c

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The mixed-field effect at the hyperfine level of the rovibronic ground state of the 127I79Br (X1Σ, v = 0, J = 0) molecule is computed on the J–I uncoupled basis of |JMJI 1 M 1 I 2 M 2〉, where J is the molecular total angular momentum excluding nuclear spin, MJ is the projection number of J, I 1 and I 2 are the nuclear spins of the iodine and bromine atoms, and M 1 and M 2 are the projection numbers of I 1 and I 2, respectively. When the two applied electric and magnetic fields are parallel, the perturbations are rare and only one perturbation is observed in a relatively large field regime in our computation range. However, when the two fields are off-parallel, the perturbations increase significantly and some sublevels show the Feshbach-like resonance phenomenon. Therefore, such sublevels transit between weak-field seeking and strong-field seeking repeatedly, which can be utilized to enhance or suppress cold molecular collision and chemical reaction rates. Such behavior of the molecular hyperfine structure in the mixed off-parallel fields may also be utilized to construct an electric-field-assisted anti-Helmholtz magnetic trap for cold molecules and to realize evaporative cooling of cold molecules (sub-mK) into the ultracold regime (μK).
Ultracold molecules provide fundamental new insights into molecular interaction dynamics in the quantum regime and represent a new platform for chemical physics where quantum behaviors play a dominant role in molecular interaction and dynamics. An electric-field-assisted magnetic trap for trapping and further evaporative cooling of cold molecules to ultracold regime is proposed utilizing the perturbation of the hyperfine levels in a mixed field, and the depth of the trap can be tuned by adjusting the assisted electric field rapidly. Thus, the evaporative cooling of [Formula: see text]I[Formula: see text]Br molecules in the [Formula: see text] state of the rovibronic ground state is simulated. It shows that IBr molecules would be cooled from 26[Formula: see text][Formula: see text]K to 556[Formula: see text]nK within 598.9[Formula: see text]ms and eventually we would obtain a number of [Formula: see text] molecules in a volume of [Formula: see text][Formula: see text]cm3 with the number density of [Formula: see text][Formula: see text]cm[Formula: see text]. The Bose–Einstein condensation of the alkali diatomic molecules would probably be realized in the proposed trap if the present experimentally available samples are loaded.
Within the scope of this thesis, the production of ultracold molecules at a temperature of a few µK with various isotopes of rubidium (Rb) and ytterbium (Yb) was examined by means of photoassociation spectroscopy and magnetic Feshbach resonances in combined conservative traps. The long-term goal of this experiment is the production of ultracold RbYb molecules in the rovibronic ground state. It was possible to produce electronically excited ^{87}Rb ^{176}Yb molecules in a novel hybrid trap (HT) at a combined temperature of 1.7 µK by means of 1-photon photoassociation close to the Rb D1 line at 795 nm. This HT takes advantage of the different magnetic properties of Rb and Yb and allows for independent trapping and manipulation of the atomic species. It combines an Ioffe-Pritchard type magnetic trap for Rb and a near-resonant optical dipole trap for Yb. The excited molecular ^2 Pi_1/2 state could be characterized further extending previous works in a combined MOT and vibrational levels reaching binding energies up to E_b=-h x 2.2 THz could be assigned by trap-loss spectroscopy. Almost every detected vibrational state consists of two resonances that could be assigned to the molecular analogue of the hyperfine structure of ^{87}Rb. An important experimental observation is a decrease in hyperfine splitting with increasing binding energy of a vibrational level. For the deepest found vibrational state the hyperfine splitting amounts only 70 % of the atomic value (817 MHz) which emphasizes a gradual passage from weakly to tightly bound molecules. Furthermore, detailed attempts were undertaken to induce magnetic Feshbach resonances in ^{85}Rb and different Yb isotopes, especially ^{171}Yb in a crossed optical dipole trap at 1064 nm at temperatures of 10 µK. For this purpose, a homogeneous magnetic field was applied and scanned in small steps over the range of 495 G... 640 G. Unfortunately, our efforts were without success. Additionally, well known as well as not yet reported Rb_2 Feshbach resonances in ^{85}Rb and ^{87}Rb were detected. These resonances allowed for a detailed analysis of the typical behaviour of Feshbach resonances. The first experimental realization of photoassociation spectroscopy in a conservative is also a major step towards the ultimate project goal of producing ultracold RbYb molecules in the electronic ground state. A spatial confinement, which is in principle possible in the HT, is a prerequisite for transferring the molecules to the rovibronic ground state, e.g. with the help of a STIRAP process.
We present a rigorous study of cold and ultracold collisions of $\mathrm{Yb}\mathrm{F}(^{2}\ensuremath{\Sigma})$ molecules with He atoms in external electric and magnetic fields based on an accurate calculation of the interaction potential surface and quantum theory of atom-molecule scattering. We analyze the mechanisms of collisional depolarization of the electron and nuclear spins of YbF and demonstrate that the rate constants for elastic and inelastic collisions of YbF with He are sensitive to the magnitudes of the applied fields. Collisions of heavy polar molecules like YbF may thus be easily manipulated with external electromagnetic fields. We show that collisional spin relaxation of YbF molecules in rotationally excited states is suppressed by electric fields much more significantly than the spin relaxation in the ground rotational state. We explain this by the influence of electric-field-induced Feshbach resonances, which occur at much lower collision energies when the molecule is rotationally excited. Our results suggest that heavy polar molecules may be amenable to magnetic trapping in a buffer gas of He, which could greatly enhance the sensitivity of spectroscopic experiments to measure the electric dipole moment of the electron.
We present an accurate quantum mechanical study of molecule–molecule collisions in the presence of a magnetic field. The work focuses on the analysis of elastic scattering and spin relaxation in collisions of O 2 ( 3 Σ g – ) molecules at cold (∼0.1 K) and ultracold (∼10 –6 K) temperatures. Our calculations show that magnetic spin relaxation in molecule–molecule collisions is extremely efficient except at magnetic fields below 1 mT. The rate constant for spin relaxation at T =0.1 K and a magnetic field of 0.1 T is found to be as large as 6.1 × 10 –11 cm –3 s –1 . The magnetic field dependence of elastic and inelastic scattering cross sections at ultracold temperatures is dominated by a manifold of Feshbach resonances with the density of ∼100 resonances per Tesla for collisions of molecules in the absolute ground state. This suggests that the scattering length of ultracold molecules in the absolute ground state can be effectively tuned in a very wide range of magnetic fields. Our calculations demonstrate that the number and properties of the magnetic Feshbach resonances are dramatically different for molecules in the absolute ground and excited spin states. The density of Feshbach resonances for molecule–molecule scattering in the low-field-seeking Zeeman state is reduced by a factor of 10.