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Issue 13, 2019
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A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics

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Abstract

The description of optical properties of subnanometer junctions is particularly challenging. Purely classical approaches fail, because the quantum nature of electrons needs to be considered. Here we report on a novel classical fully atomistic approach, ωFQ, based on the Drude model for conduction in metals, classical electrostatics and quantum tunneling. We show that ωFQ is able to reproduce the plasmonic behavior of complex metal subnanometer junctions with quantitative fidelity to full ab initio calculations. Besides the practical potentialities of our approach for large scale nanoplasmonic simulations, we show that a classical approach, in which the atomistic discretization of matter is properly accounted for, can accurately describe the nanoplasmonics phenomena dominated by quantum effects.

Graphical abstract: A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics

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Article information


Submitted
12 Nov 2018
Accepted
15 Feb 2019
First published
21 Feb 2019

This article is Open Access

Nanoscale, 2019,11, 6004-6015
Article type
Paper

A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics

T. Giovannini, M. Rosa, S. Corni and C. Cappelli, Nanoscale, 2019, 11, 6004 DOI: 10.1039/C8NR09134J

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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