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arXiv:2305.04879 · Physical Review A

Simulations of a frequency-chirped magneto-optical trap of MgF

Kayla Rodriguez, Nickolas Pilgram, Daniel S. Barker, Stephen Eckel, Eric B. Norrgard

Published Sep 8, 2023• 8 citations
arXivHTMLPDF

Abstract

The authors present a theoretical analysis of a frequency-chirped molecular magneto-optical trap (MOT) that may open the way for efficient cooling of a class of light molecules. They show that this approach can increase the capture velocity of the MOT which could be used to capture more molecules from typical molecular sources and, in some cases, perhaps remove the need for laser slowing before capture in the MOT.

DOI
10.1103/physreva.108.033105

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arXiv:2605.30296•May 28, 2026•0 citations
The authors present a theoretical analysis of a frequency-chirped molecular magneto-optical trap (MOT) that may open the way for efficient cooling of a class of light molecules. They show that this approach can increase the capture velocity of the MOT which could be used to capture more molecules from typical molecular sources and, in some cases, perhaps remove the need for laser slowing before capture in the MOT.
Diatomic molecules are promising systems for quantum science applications due to their complex energy structures and strong dipole-dipole interactions. Achieving ultracold temperatures is essential for these applications, but the complexity of molecular energy levels requires precise optimization of experimental parameters for laser slowing and magneto-optical trapping (MOT). Here, we simulate and optimize the complete process of slowing and trapping MgF molecules, from a buffer-gas beam source to MOT capture, using Bayesian optimization. By combining laser slowing and MOT simulations, we identify parameters that maximize the capture velocity and the ratio of trapped molecules. Our results demonstrate a maximum MOT capture velocity of 82.5 m/s, and 28.6% of the molecules that reach the MOT region are trapped under optimal conditions. These findings provide insights into experimental setups for MgF and similar molecules, offering a framework for advancing molecular laser cooling and quantum experiments.
Laser cooling and trapping in a magneto-optical trap (MOT) have been essential to the success of cold atom physics in the last decades. Recently, the application of the same techniques to molecules has begun. The complexity of even a simple diatomic molecule makes laser cooling difficult, but promises new applications in many areas of research. In this thesis I describe the development of the first three-dimensional MOT of calcium fluoride (CaF) molecules. First, a cryogenic buffer gas source was set up, producing a pulsed beam of 9.3*10^10 molecules per steradian per pulse with forward velocities around 170 m/s. A similar source for very large molecules was set up during a 5 month internship at the University of Vienna. Next, the molecular pulse was slowed down to the capture velocity of a MOT using chirped laser slowing, resulting in about 7*10^5 CaF molecules passing through the typical MOT volume of 1 cm^3 at velocities of 15+-5 m/s. A new deceleration method, called Zeeman-Sisyphus deceleration, was also investigated. In this method molecules move through a spatially varying magnetic field and are optically pumped between low- and high-field seeking states in such as a way that they are always losing kinetic energy. The method promises to deliver more slow molecules because the molecules are guided transversely as they are decelerated. A small prototype was built and the optical pumping step was tested successfully. Finally, 7.6*10^3 CaF molecules were trapped in a MOT and cooled to a temperature of 8.5 mK. The radial trap frequency is 2 pi*130 Hz and the damping constant is beta=9.5*10^2 s^-1. The lifetime is about 100 ms and depends strongly on the scattering rate. This MOT is an an ideal starting point for a wide range of new experiments with ultracold molecules.
We present the properties of a magneto-optical trap (MOT) of CaF molecules. We study the process of loading the MOT from a decelerated buffer-gas-cooled beam, and how best to slow this molecular beam in order to capture the most molecules. We determine how the number of molecules, the photon scattering rate, the oscillation frequency, damping constant, temperature, cloud size and lifetime depend on the key parameters of the MOT, especially the intensity and detuning of the main cooling laser. We compare our results to analytical and numerical models, to the properties of standard atomic MOTs, and to MOTs of SrF molecules. We load up to molecules, and measure a maximum scattering rate of s −1 per molecule, a maximum oscillation frequency of 100 Hz, a maximum damping constant of 500 s −1 , and a minimum MOT rms radius of 1.5 mm. A minimum temperature of 730 μ K is obtained by ramping down the laser intensity to low values. The lifetime, typically about 100 ms, is consistent with a leak out of the cooling cycle with a branching ratio of about . The MOT has a capture velocity of about 11 m s −1 .
Abstract Recent experiments have demonstrated direct cooling and trapping of diatomic and triatomic molecules in magneto-optical traps (MOTs). However, even the best molecular MOTs to date still have density 10−5 times smaller than in typical atomic MOTs. The main limiting factors are: (i) inefficiencies in slowing molecules to velocities low enough to be captured by the MOT, (ii) low MOT capture velocities, and (iii) limits on density within the MOT resulting from sub-Doppler heating (Devlin and Tarbutt 2018 Phys. Rev. A 90 063415). All of these are consequences of the need to drive ‘Type-II’ optical cycling transitions, where dark states appear in Zeeman sublevels, in order to avoid rotational branching. We present simulations demonstrating ways to mitigate each of these limitations. This should pave the way toward loading molecules into conservative traps with sufficiently high density and number to evaporatively cool them to quantum degeneracy.
Molecular magneto-optical traps (MOTs) typically capture orders of magnitude fewer particles than their atomic counterparts due in part to their significantly lower capture velocities. Here, we employ a Stochastic Schrödinger Equation Monte Carlo approach to model a CaF DC MOT to understand the factors limiting capture velocity. We provide physical intuition into the mechanisms that affect capture velocity and identify important parameters and general strategies to improve it. In addition, we point out a loss mechanism intrinsic to molecular MOTs and determine parameter regimes that should be avoided experimentally. We benchmark our simulations against a CaF DC MOT and experimentally implement the improvements predicted by our model. In doing so, we demonstrate a molecular MOT with 1.5 million trapped molecules. This represents an eight-fold improvement and is an important step toward achieving quantum degeneracy with laser cooled molecules.