Nonlocal response with local optics

作     者：Jiantao Kong Alexander J. Shvonski Krzysztof Kempa 

作者机构：Department of Physics Boston College Chestnut Hill Massachusetts 02467 USA 

出 版 物：《Physical Review B》 (Phys. Rev. B)

年 卷 期：2018年第97卷第16期

页      面：165423-165423页

核心收录：

主　　题：Nanostructures Finite-difference time-domain method First-principles calculations Methods in electromagnetism 

摘      要：For plasmonic systems too small for classical, local simulations to be valid, but too large for ab initio calculations to be computationally feasible, we developed a practical approach—a nonlocal-to-local mapping that enables the use of a modified local system to obtain the response due to nonlocal effects to lowest order, at the cost of higher structural complexity. In this approach, the nonlocal surface region of a metallic structure is mapped onto a local dielectric film, mathematically preserving the nonlocality of the entire system. The most significant feature of this approach is its full compatibility with conventional, highly efficient finite difference time domain (FDTD) simulation codes. Our optimized choice of mapping is based on the Feibelman s d-function formalism, and it produces an effective dielectric function of the local film that obeys all required sum rules, as well as the Kramers-Kronig causality relations. We demonstrate the power of our approach combined with an FDTD scheme, in a series of comparisons with experiments and ab initio density functional theory calculations from the literature, for structures with dimensions from the subnanoscopic to microscopic range.