稀电解质的霍尔电导:来自奇随机密度泛函理论
Hall conductance of dilute electrolytes from odd stochastic density functional theory
- University of Chicago(芝加哥大学)
- Weizmann Institute of Science(魏茨曼科学研究所)
- ESPCI Paris, Université PSL, CNRS(巴黎高等物理化工学院,PSL大学,法国国家科学研究中心)
- Université Pierre et Marie Curie(皮埃尔和玛丽·居里大学)
- John A. Paulson School of Engineering and Applied Sciences, Harvard University(哈佛大学约翰·A·保尔森工程与应用科学学院)
机构由 AI 辅助整理,请以论文原文为准。
AI总结:
针对磁场中电解质的霍尔电导率缺乏定量理论的问题,本文提出奇随机密度泛函理论(odd SDFT),通过三种方法计算霍尔电导率,并推广至对称性破缺流体,为调和理论与实验奠定基础。
AI中文摘要:
在外加磁场下的电解质会表现出霍尔电导率,这与金属和半导体类似。然而,现有理论无法定量解释测得的霍尔电导率。为了推进这一理论的发展,我们为磁场中的电解质建立了一个随机密度泛函框架。该框架我们称之为奇SDFT,它扩展了著名的随机密度泛函理论(SDFT),以纳入横向迁移率和手性时间相关噪声。利用该框架,我们在没有流体动力学溶剂效应的情况下,通过三种方法计算了霍尔电导率:(i)直接响应,(ii)Green-Kubo关系,以及(iii)混合涨落-耗散关系。我们进一步表明,奇SDFT更广泛地适用于具有时间反演和镜面对称性破缺的流体,包括奇扩散流体和手性活性物质。我们的结果将Debye-Hückel-Onsager理论的弛豫修正推广到磁化电解质,并为纳入由溶剂介导的额外效应提供了基础,这些效应可能在定量上调和理论与实验。
英文摘要:
Electrolytes under an external magnetic field exhibit a Hall conductivity, much like metals and semiconductors. However, existing theories fail to quantitatively account for their measured Hall conductivities. To make progress toward such a theory, we develop a stochastic density functional framework for electrolytes in a magnetic field. This framework, which we dub odd SDFT, extends the celebrated stochastic density functional theory (SDFT) to incorporate transverse mobilities and chiral time-correlated noise. Using this framework, we calculate the Hall conductivity in the absence of hydrodynamic solvent effects through three approaches: (i) direct response, (ii) Green-Kubo relation, and (iii) a hybrid fluctuation-dissipation relation. We further show that odd SDFT applies more broadly to fluids with broken time-reversal and mirror symmetry, including odd-diffusive fluids and chiral active matter. Our results generalize the relaxation correction of Debye-Hückel-Onsager theory to magnetized electrolytes and provide a foundation for incorporating additional effects mediated by the solvent that could quantitatively reconcile theory and experiments.