Surface-response functions obtained from equilibrium electron-density profiles

Surface-response functions are one of the most promising routes for bridging the gap between fully quantum-mechanical calculations and phenomenological models in quantum nanoplasmonics. Within all the currently available recipes for obtaining such response functions, \emph{ab initio} calculations re...

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Veröffentlicht in:arXiv.org 2021-02
Hauptverfasser: Mortensen, N Asger, Gonçalves, P A D, Shuklin, Fedor A, Cox, Joel D, Tserkezis, Christos, Ichikawa, Masakazu, Wolff, Christian
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Sprache:eng
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Zusammenfassung:Surface-response functions are one of the most promising routes for bridging the gap between fully quantum-mechanical calculations and phenomenological models in quantum nanoplasmonics. Within all the currently available recipes for obtaining such response functions, \emph{ab initio} calculations remain one of the most predominant, wherein the surface-response function are retrieved via the metal's non-equilibrium response to an external perturbation. Here, we present a complementary approach where one of the most appealing surface-response functions, namely the Feibelman \(d\)-parameters, yield a finite contribution even in the case where they are calculated directly from the equilibrium properties described under the local-response approximation (LRA), but with a spatially varying equilibrium electron density. Using model calculations that mimic both spill-in and spill-out of the equilibrium electron density, we show that the obtained \(d\)-parameters are in qualitative agreement with more elaborate, but also more computationally demanding, \emph{ab initio} methods. The analytical work presented here illustrates how microscopic surface-response functions can emerge out of entirely local electrodynamic considerations.
ISSN:2331-8422
DOI:10.48550/arxiv.2103.00162