Ion solvation in atomic baths: From snowballs to polarons

Saajid Chowdhury, Jesús Perez‐Ríos
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Abstract

Solvation, the result of the complicated interplay between solvent–solute and solvent–internal interactions, is one of the most important chemical processes. Consequently, a complete theoretical understanding of solvation seems like a heroic task. However, it is possible to elucidate fundamental solvation mechanisms by looking into simpler systems, such as ion solvation in atomic baths. In this work, we study ion solvation by calculating the ground state properties of a single ion in a neutral bath from the high‐density to the low‐density regimes, finding common ground for these two, in principle, disparate regimes. Our results indicate that a single 174Yb+ ion in a bath of 7Li atoms forms a coordination complex at high densities with a coordination number of 8, with strong electrostriction characteristic of the snowball effect. On the contrary, treating the atomic bath as a dilute quantum gas at low densities, we find that the ion‐atom interaction's short‐range plays a significant role in the physics of many‐body‐bound states and polarons. Furthermore, in this regime, we explore the role of an ion trap necessary to experimentally realize this system, which drastically affects the binding mechanism of the ion and atoms from a quantum gas. Therefore, our results give a novel insight into the universality of ion‐neutral systems in the ultracold regime and the possibilities of observing exotic many‐body effects.Keypoints A global study of ion solvation in atomic baths from the high‐ to the low‐density regimes. The ion–atom short‐range interaction is critical to understanding the presence of many‐body‐bound states and polarons. The ion‐trapping potential drastically impacts many‐body‐bound states and polaron formation.

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原子浴中的离子溶解:从雪球到极子
溶解是溶剂-溶剂和溶剂-溶剂之间复杂相互作用的结果,是最重要的化学过程之一。因此,从理论上全面理解溶解似乎是一项艰巨的任务。然而,通过研究更简单的系统(如原子浴中的离子溶解),我们有可能阐明基本的溶解机制。在这项工作中,我们通过计算单个离子在中性浴中从高密度到低密度状态的基态特性来研究离子溶解,为这两种原则上不同的状态找到共同点。我们的结果表明,单个 174Yb+ 离子在由 7Li 原子组成的原子槽中形成的配位复合物在高密度下的配位数为 8,具有雪球效应的强电致伸缩特征。相反,在低密度条件下,将原子槽视为稀释量子气体,我们发现离子-原子的短程相互作用在多体结合态和极子物理中发挥着重要作用。此外,在这一体系中,我们探索了实验实现这一系统所需的离子阱的作用,它极大地影响了量子气体中离子和原子的结合机制。因此,我们的研究结果为超冷体系中离子中性系统的普遍性以及观测奇异多体效应的可能性提供了新的视角。离子-原子短程相互作用对于理解多体束缚态和极子的存在至关重要。离子捕获势极大地影响了多体结合态和极子的形成。
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