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arXiv:2010.11899 · Physical Chemistry Chemical Physics

Magnetic properties and quench dynamics of two interacting ultracold molecules in a trap

Anna Dawid, Michał Tomza

Published Jan 1, 2020• 6 citations
arXivHTMLPDF

Abstract

We theoretically investigate the magnetic properties and nonequilibrium dynamics of two interacting ultracold polar and paramagnetic molecules in a one-dimensional harmonic trap in external electric and magnetic fields. The molecules interact via a multichannel two-body contact potential, incorporating the short-range anisotropy of intermolecular interactions. We show that various magnetization states arise from the interplay of the molecular interactions, electronic spins, dipole moments, rotational structures, external fields, and spin-rotation coupling. The rich magnetization diagrams depend primarily on the anisotropy of the intermolecular interaction and the spin-rotation coupling. These specific molecular properties are challenging to calculate or measure. Therefore, we propose the quench dynamics experiments for extracting them from observing the time evolution of the analyzed system. Our results indicate the possibility of controlling the molecular few-body magnetization with the external electric field and pave the way towards studying the magnetization of ultracold molecules trapped in optical tweezers or optical lattices and their application in quantum simulation of molecular multichannel many-body Hamiltonians and quantum information storing.

DOI
10.1039/d0cp05542e

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We theoretically investigate the magnetic properties and nonequilibrium dynamics of two interacting ultracold polar and paramagnetic molecules in a one-dimensional harmonic trap in external electric and magnetic fields. The molecules interact via a multichannel two-body contact potential, incorporating the short-range anisotropy of intermolecular interactions. We show that various magnetization states arise from the interplay of the molecular interactions, electronic spins, dipole moments, rotational structures, external fields, and spin-rotation coupling. The rich magnetization diagrams depend primarily on the anisotropy of the intermolecular interaction and the spin-rotation coupling. These specific molecular properties are challenging to calculate or measure. Therefore, we propose the quench dynamics experiments for extracting them from observing the time evolution of the analyzed system. Our results indicate the possibility of controlling the molecular few-body magnetization with the external electric field and pave the way towards studying the magnetization of ultracold molecules trapped in optical tweezers or optical lattices and their application in quantum simulation of molecular multichannel many-body Hamiltonians and quantum information storing.
We theoretically investigate the properties of two interacting ultracold highly magnetic atoms trapped in a one-dimensional harmonic potential. The atoms interact via an anisotropic long-range dipole-dipole interaction, which in one dimension effectively can be modeled by the contact interaction. We investigate the interplay of the external magnetic field, the spin-spin interaction, and the trapping potential and how they affect the magnetization of the system. We show the role of indistinguishability and symmetries in the dynamics by studying the time evolution of the observables that could be measured experimentally. The presented model may depict the on-site interaction of the extended Hubbard models, therefore giving a better understanding of the fundamental building block of the respective many-body quantum simulators.
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.
Abstract Ultracold molecules trapped in optical tweezers show great promise for the implementation of quantum technologies and precision measurements. We study a prototypical scenario where two interacting polar molecules placed in separate traps are controlled using an external electric field. This, for instance, enables a quantum computing scheme in which the rotational structure is used to encode the qubit states. We estimate the typical operation timescales needed for state engineering to be in the range of few microseconds. We further underline the important role of the spatial structure of the two-body states, with the potential for significant gate speedup employing trap-induced resonances.
This Thesis describes new mechanisms for controlling elastic and inelastic collisions of ultracold atoms and molecules with static electromagnetic and laser fields. The dynamical properties of ultracold atoms are usually tuned in experiments by applying an external magnetic field to induce a Feshbach resonance. The work presented in this Thesis demonstrates the possibility of inducing and manipulating Feshbach resonances with electric fields. We discuss in detail the mechanisms of electric-field-induced resonances in ultracold mixtures of alkali metal atoms and demonstrate that electric fields may shift and split the magnetic resonances. We show that electric fields may spin up the collision complex of ultracold atoms and induce anisotropic scattering which may be exploited in experiments on many-body dynamics of ultracold gaseous mixtures. The mechanisms of electric-field-induced resonances described in this Thesis allow for two-dimensional control of inter-particle interactions, leading to total control over ultracold gases. To guide future experiments, we generate accurate interaction potentials for ultracold Li--Rb mixtures by fitting positions and widths of experimentally measured Feshbach resonances. Ultracold atomic and molecular gases can be confined by laser fields in one or two dimensions which produces an optical lattice of ultracold particles. We develop a multichannel scattering theory for collisions of atoms and molecules in two dimensions and explore the effects of the confining laser potential on inelastic and reactive collisions of ultracold atoms and molecules in a 1D optical lattice. We show that ultracold collisions can be controlled in a quasi-2D geometry by varying the orientation of a magnetic field with respect to the confinement plane normal and demonstrate that the threshold energy dependence of cross sections for inelastic collisions in an optical lattice can be tuned by varying the confining potential and the magnetic field. Our results show that applying laser confinement in one dimension may stabilize ultracold systems with large scattering lengths, which may open up interesting opportunities for studies of ultracold controlled chemistry and might lead to a new research direction of ultracold chemistry in restricted geometries.
Strongly interacting ultracold dipolar molecules are a rich platform for quantum information and quantum simulation of phenomena relevant to condensed matter systems. This dissertation presents novel theoretical and computational studies of ultracold dipolar molecules relevant to these areas in three broad categories.First, the path integral ground state quantum Monte Carlo method is extended to simulations with both translational and rotational degrees of freedom, including the development of a novel estimator of the elementary excitation energies of a system with these degrees of freedom based on the well known Feynman-Bijl approximation. This is then used to study dipolar molecular ensembles confined to one-dimensional optical lattices. The ground state phase diagram is characterized with both a mean-field method and the aforementioned quantum Monte Carlo method. A quantum phase transition is found for very short optical lattice spacings or very large dipole moments. The prospects for experimentally realizing a system which exhibits this phase transition are discussed.Second, the path integral ground state quantum Monte Carlo method is utilized to study the ground state of dipole molecules confined to two-dimensional optical lattices. On square lattices a crossover from a weakly interacting disordered phase to a strongly interacting striped phase is found for short lattice spacings or large dipole moments. On triangular lattices a crossover between a disordered phase and a completely polarized phase is found, also for short lattice spacings or large dipole moments. The relevance of such simulations to self-assembled dipolar crystals in two dimensions is discussed and simulation results of these systems are presented. Simulations of polarized and harmonically confined molecular systems in two dimensions with translations and rotations are also presented and a realistic interaction potential using highly accurate ab initio quantum chemistry techniques is calculated for LiH--LiH interactions as a preliminary step toward developing a high quality trial wave function for the simulation of systems possessing both translational and rotational degrees of freedom.Finally, several novel applications for dipolar molecules confined to optical lattices are proposed. An experimental realization of a topological phase using 2Sigma^2\\Sigma2Sigma ground state molecules with applied near resonant microwave fields and transverse magnetic fields is proposed. A method to create an array of dipole-coupled two-level molecules exhibiting superradiance and possessing novel spectroscopic properties using 1Sigma^1\\Sigma1Sigma ground state molecules in the combination of a far off-resonant laser field and a moderate magnetic field is proposed. Additionally, a method to create entangled pairs of molecules using closed-shell dipolar molecules immersed in an intense far off-resonant laser field is reviewed and an extension in which parallel optical lattices are merged and molecules are allowed to collide in the presence of a far off-resonant laser field is proposed. Simulation results are presented indicating that a significant amount of entanglement may be generated in such a way in realistic molecular systems.