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arXiv · 2004.09851

Graphene Plasmonics: a Novel Fully Atomistic Approach for Realistic Structures

Tommaso Giovannini·Luca Bonatti·Marco Polini·Chiara Cappelli
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Abstract

We demonstrate that the plasmonic properties of realistic graphene and graphene-based materials can effectively and accurately be modeled by a novel, fully atomistic, yet classical, approach, named $\omega$FQ. Such model is able to reproduce all plasmonic features of these materials, and their dependence on shape, dimension and fundamental physical parameters (Fermi energy, relaxation time and two-dimensional electron density). Remarkably, $\omega$FQ is able to accurately reproduce experimental data for realistic structures of hundreds of nanometers ($\sim$ 370.000 atoms), which cannot be afforded by any \emph{ab-initio} method. Also, the atomistic nature of $\omega$FQ permits the investigation of complex shapes, which can hardly be dealt with by exploiting widespread continuum approaches.

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Tommaso Giovannini, Luca Bonatti, Marco Polini, Chiara Cappelli. 2020-04-21. Graphene Plasmonics: a Novel Fully Atomistic Approach for Realistic Structures. https://doi.org/10.1021/acs.jpclett.0c02051

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