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arXiv:2410.19068 · Physical Review Research

SU ( N ) symmetry with ultracold alkali dimers: Weak dependence of scattering properties on hyperfine state

Bijit Mukherjee, Jeremy M. Hutson

Published Jan 27, 2025• 7 citations
arXivHTMLPDF

Abstract

We investigate the prospect of using ultracold alkali diatomic molecules to implement many-body quantum systems with SU ( N ) symmetry. Experimentally accessible molecules offer large N for both bosonic and fermionic systems, with both attractive and repulsive interactions. We carry out coupled-channel scattering calculations on pairs of NaK, NaRb, and NaCs molecules that are shielded from destructive collisions with static electric fields. We develop new methods to handle the very large basis sets required to include nuclear spins. We show that all the molecules studied have the properties required for SU ( N ) symmetry: the collisions are principally elastic, and the scattering lengths depend only weakly on the spin states of the molecules. The rates of spin-changing inelastic collisions are very low. We develop and test a semiclassical model of the spin dependence and find that it performs well.

DOI
10.1103/physrevresearch.7.013099

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We investigate the prospect of using ultracold alkali diatomic molecules to implement many-body quantum systems with SU ( N ) symmetry. Experimentally accessible molecules offer large N for both bosonic and fermionic systems, with both attractive and repulsive interactions. We carry out coupled-channel scattering calculations on pairs of NaK, NaRb, and NaCs molecules that are shielded from destructive collisions with static electric fields. We develop new methods to handle the very large basis sets required to include nuclear spins. We show that all the molecules studied have the properties required for SU ( N ) symmetry: the collisions are principally elastic, and the scattering lengths depend only weakly on the spin states of the molecules. The rates of spin-changing inelastic collisions are very low. We develop and test a semiclassical model of the spin dependence and find that it performs well.
Abstract Quantum systems with SU( N ) symmetry are paradigmatic settings for quantum many-body physics. They have been studied for the insights they provide into complex materials and their ability to stabilize exotic ground states. Ultracold alkaline-earth atoms were predicted to exhibit SU( N ) symmetry for N = 2 I + 1 = 1 , 2 , … , 10 , where I is the nuclear spin. Subsequent experiments have revealed rich many-body physics. However, alkaline-earth atoms realize this symmetry only for fermions with repulsive interactions. In this paper, we predict that ultracold molecules shielded from destructive collisions with static electric fields or microwaves exhibit SU( N ) symmetry, which holds because deviations of the s-wave scattering length from the spin-free values are only about 3% for CaF with static-field shielding and are estimated to be even smaller for bialkali molecules. They open the door to N as large as 32 for bosons and 36 for fermions. They offer important features unachievable with atoms, including bosonic systems and attractive interactions.
We study ultracold gases of alkali-metal atoms in the quantum degenerate regime. The interatomic interactions in these type of systems can be tuned using resonances induced by magnetic or electric fields. The tunability of the interactions, together with the possibility of confining the atoms with several kinds of external potentials, allows for a completely novel approach to study basic problems in many-body physics, and moreover, allows to enter regimes which have never been accessible in condensed matter or nuclear physics. For example, this has led to the experimental demonstration of an intimate relation between two types of superfluidity: the crossover from Bose-Einstein condensation of tightly bound molecules to the superfluid behavior related to weakly bound BCS-like pairs. Another experimental landmark was reached when the existence of universal Efimov three-body bound states was proven in experiments with ultracold bosonic cesium atoms. In this thesis, we study several aspects of these strongly interacting and ultracold atomic gases. We develop an analytical model that encapsulates all of the relevant scattering physics in atomic systems where open-channel shape resonances and closedchannel Feshbach resonances give rise to complicated and non-trivial scattering properties. This model provides lots of physical insight and is shown to describe important quantities, such as the molecular energies and scattering phase shifts, with a high level of accuracy. The model is compared to full numerical coupled-channel calculations in two atomic systems: rubidium and lithium. We study the BCS-BEC crossover using a many-body description of the ultracold gas that includes the non-trivial energy dependence of the scattering model. We show that it gives rise to superfluid behavior associated with the formation of BCS-like pairs while the low-energy interactions are repulsive in character. The energy dependence of the interactions is crucial, as it gives rise to attractive interactions at the Fermi energy, necessary for the formation of Cooper pairs. We demonstrate new ways of controlling the interatomic interactions using a combination of magnetic and electric fields. This leads to experimental control of, for instance, the three-body parameter in the context of Efimov physics and of non-universal behavior in the BCS-BEC crossover in fermionic gases. Using a four-body method based on first principles, we solve the molecule-molecule scattering problem to calculate several important properties of bosonic and fermionic Summary 145 molecules that consist of light and heavy atoms. These type of molecules are of current experimental interest, and we predict several exciting relations between three- and four-body observables in these type of systems.
There is at present great interest in the properties of ultracold molecules. Molecules are created in traps in excited rovibrational states and any vibrational relaxation results in the trap loss. This thesis provides a theoretical study of interactions and collisions in the spin-polarized lithium -b lithium dimer system at ultralow energies. Potential energy surface of the electronic quartet ground state of lithium trimer is generated ab initio using the CCSD(T) method and represented by an IMLS/Shepard fit. Long-range nonadditive interactions are modelled using a symmetric global form with coefficients taken from a fit to the atom-molecule dispersion coefficients. The surface allows barrierless atom-exchange reactions. It has a global minimum of ≈ 4000 cm(^-1) at equilateral geometries with r(_e) = 3.1 Å. The nonadditive interactions are very strong near equilibrium. They increase the well depth by a factor of 4 and reduce the interatomic distance by ≈ 1 Å. Another surface of À symmetry in C(_s) meets the ground state surface at linear geometries at short range. Part of the seam, near D(_ooh) geometries, is in an energetically accessible region for cold collisions. Inside the seam, the lowest À surface correlates with (^4)II rather than (^4)Σ state. Inelastic and reactive collisions are investigated using a quantum mechanical coupled channel method in hyperspherical coordinates. Bosonic and fermionic systems in the spin-stretched states are considered. The inelastic rate coefficients from the rovibrationally excited states of dimer at ultralow collision energies are large, often above 10-(^-10) cm(^3)s(^-1) The elastic cross sections are ≈ 3 orders of magnitude lower at 1 nK. Atom-molecule mixtures, at the densities found in Bose-Einstein condensates of alkali metal atoms that were recently produced, would last only a fraction of a second. Classical Langevin model describes semi-quantitatively the energy dependence of inelastic cross sections above ≈ 50 mK. No systematic differences between the bosonic and fermionic systems were found. Sensitivity of the results on potential was investigated. Reactions in isotopic mixtures of lithium may be exothermic even from the molecular ground state. The reactive rate coefficients are 1 - 2 orders of magnitude smaller than those in systems involving an initially vibrationally excited dimer.
We consider collisional properties of weakly bound heteronuclear molecules (dimers) formed in a two-species mixture of atoms with a large mass difference. We focus on dimers containing light fermionic atoms as they manifest collisional stability due to an effective dimer-dimer repulsion originating from the exchange of the light atoms. In order to solve the dimer-dimer scattering problem we develop a theoretical approach, which provides a physically transparent and quantitative description of this four-atom system in terms of three- and two-body observables. We calculate the elastic scattering amplitude and the rates of inelastic processes such as the trimer formation and the relaxation of dimers into deeply bound molecular states. Irrespective of whether the heavy atoms are bosons or fermions, the inelastic rate can be significantly lower than the rate of elastic collisions. Moreover, the measurement of the inelastic rate which is a four-body observable, can be an efficient and precise tool for determining three-body observables such as the three-body parameter, positions of Efimov states, and their lifetimes.
We consider weakly bound diatomic molecules (dimers) formed in a two-component atomic Fermi gas with a large positive scattering length for the interspecies interaction. We develop a theoretical approach for calculating atom-dimer and dimer-dimer elastic scattering and for analyzing the inelastic collisional relaxation of the molecules into deep bound states. This approach is based on the single-channel zero-range approximation, and we find that it is applicable in the vicinity of a wide two-body Feshbach resonance. Our results draw prospects for various interesting manipulations of weakly bound dimers of fermionic atoms.
Ultracold chemical reactions of weakly bound triplet-state alkali metal dimer molecules have recently attracted much experimental interest. We perform rigorous quantum scattering calculations with a new ab initio potential energy surface to explore the chemical reaction of spin-polarized NaLi( a 3 Σ + ) and Li( 2 S) to form Li 2 ( a 3 Σ u + ) and Na( 2 S). The reaction is exothermic and proceeds readily at ultralow temperatures. Significantly, we observe strong sensitivity of the total reaction rate to small variations of the three-body part of the Li 2 Na interaction at short range, which we attribute to a relatively small number of open Li 2 ( a 3 Σ u + ) product channels populated in the reaction. This provides the first signature of highly non-universal dynamics seen in rigorous quantum reactive scattering calculations of an ultracold exothermic insertion reaction involving a polar alkali dimer molecule, opening up the possibility of probing microscopic interactions in atom+molecule collision complexes via ultracold reactive scattering experiments.