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Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics

2024/06/16 by Piero Lafiosca, Lafiosca, Piero, Luca Nicoli +9 · 2 citations
Engineering · Physics and Astronomy · #Advancements in Semiconductor Devices and Circuit Design #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Optics (physics.optics) #Photonic and Optical Devices #Surface and Thin Film Phenomena

paper · pdf · doi:10.48550/arxiv.2406.10926

openalex publication_date 2024/06/16 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30

Abstract

Investigating nanoplasmonics using time-dependent approaches permits shedding light on the dynamic optical properties of plasmonic structures, which are intrinsically connected with their potential applications in photochemistry and photoreactivity. This work proposes a real-time extension of our recently developed fully atomistic approaches ωFQ and ωFQFμ. These methods successfully reproduce quantum size effects in metal nanoparticles, including plasmon shifts for both simple and d-metals, even below the quantum size limit. Also, thanks to their atomistic nature and the phenomenological inclusion of quantum tunneling effects, they can effectively describe the optical response of subnanometer junctions. By incorporating real-time dynamics, the approach provides an efficient framework for studying the time-dependent optical behavior of metal nanostructures, including the decoherence of plasmon excitations.

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