Alves Rúben A, Pacheco-Peña Víctor, Navarro-Cía Miguel
School of Physics and Astronomy, University of Birmingham, Birmingham B15 2TT, United Kingdom.
School of Mathematics, Statistics and Physics, Newcastle University, Newcastle Upon Tyne NE1 7RU, United Kingdom.
J Phys Chem C Nanomater Interfaces. 2022 Sep 1;126(34):14758-14765. doi: 10.1021/acs.jpcc.2c04828. Epub 2022 Aug 19.
Current multiscale plasmonic systems pose a modeling challenge. Classical macroscopic theories fail to capture quantum effects in such systems, whereas quantum electrodynamics is impractical given the total size of the experimentally relevant systems, as the number of interactions is too large to be addressed one by one. To tackle the challenge, in this paper we propose to use the Madelung form of the hydrodynamic Drude model, in which the quantum effect electron spill-out is incorporated by describing the metal-dielectric interface using a super-Gaussian function. The results for a two-dimensional nanoplasmonic wedge are correlated to those from nonlocal full-wave numerical calculations based on a linearized hydrodynamic Drude model commonly employed in the literature, showing good qualitative agreement. Additionally, a conformal transformation perspective is provided to explain qualitatively the findings. The methodology described here may be applied to understand, both numerically and theoretically, the modular inclusions of additional quantum effects, such as electron spill-out and nonlocality, that cannot be incorporated seamlessly by using other approaches.
当前的多尺度等离子体系统带来了建模挑战。经典宏观理论无法捕捉此类系统中的量子效应,而考虑到实验相关系统的整体规模,量子电动力学并不实用,因为相互作用的数量太多,无法逐一处理。为应对这一挑战,在本文中我们提议使用流体动力学德鲁德模型的马德隆形式,其中通过使用超高斯函数描述金属 - 电介质界面来纳入量子效应电子溢出。二维纳米等离子体楔形的结果与基于文献中常用的线性化流体动力学德鲁德模型的非局部全波数值计算结果相关,显示出良好的定性一致性。此外,还提供了共形变换视角来定性解释这些发现。这里描述的方法可用于从数值和理论上理解其他方法无法无缝纳入的额外量子效应(如电子溢出和非局部性)的模块化包含情况。