Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics

被引:1
作者
Lafiosca, Piero [1 ]
Nicoli, Luca [1 ]
Pipolo, Silvio [2 ]
Corni, Stefano [3 ,4 ]
Giovannini, Tommaso [5 ]
Cappelli, Chiara [1 ]
机构
[1] Scuola Normale Super Pisa, I-56126 Pisa, Italy
[2] Univ Lille, UCCS Unite Catalyse & Chim Solide, Univ Artois UMR 8181, F-59000 Lille, France
[3] Univ Padua, Dipartimento Sci Chim, I-35131 Padua, Italy
[4] Ist Nanosci Consiglio Nazl Ric CNR NANO, I-41125 Modena, Italy
[5] Univ Roma Tor Vergata, Dept Phys, I-00133 Rome, Italy
基金
欧盟地平线“2020”; 欧洲研究理事会;
关键词
OPTICAL-PROPERTIES; SINGLE-MOLECULE; SURFACE-PLASMONS; GOLD; RESONANCE; DYNAMICS; SILVER; SIZE; NANOPARTICLES; ENHANCEMENT;
D O I
10.1021/acs.jpcc.4c04002
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 (RT) extension of our recently developed fully atomistic approaches omega FQ and omega FQF mu. 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.
引用
收藏
页码:17513 / 17525
页数:13
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