Surface-response functions obtained from equilibrium electron-density profiles

N. Asger Mortensen*, P. A.D. Gonçalves, Fedor A. Shuklin, Joel D. Cox, Christos Tserkezis, Masakazu Ichikawa, Christian Wolff

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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. Among all currently available recipes for obtaining such response functions, the use of ab initio methods remains one of the most conspicuous trends, wherein the surface-response functions are retrieved via the metal's non-equilibrium response to an external time-dependent perturbation. Here, we present a complementary approach to approximate one of the most appealing surface-response functions, namely the Feibelman d-parameters, yield a finite contribution even when they are calculated solely with the equilibrium properties of the metal, described under the local-response approximation (LRA) but with a spatially varying equilibrium electron density, as input. 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, ab initio methods. The analytical work presented here illustrates how microscopic surface-response functions can emerge out of entirely local electrodynamic considerations.

Udgave nummer14
Sider (fra-til)3647-3657
StatusUdgivet - okt. 2021

Bibliografisk note

Funding Information:
Research funding: N. A. M. is a VILLUM Investigator supported by VILLUM FONDEN (Grant No. 16498) and Independent Research Fund Denmark (Grant No. 7026-00117B). J. D. C. is a Sapere Aude research leader supported by Independent Research Fund Denmark (Grant No. 0165-00051B). C. W. acknowledges funding from a MULTIPLY fellowship under the Marie Skłodowska-Curie COFUND Action (grant agreement No. 713694). The Center for Nano Optics is financially supported by the University of Southern Denmark (SDU 2020 funding). The Center for Nanostructured Graphene is sponsored by the Danish National Research Foundation (Project No. DNRF103).

Publisher Copyright:
© 2021 N. Asger Mortensen et al., published by De Gruyter, Berlin/Boston 2021.


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