Atomistic electrodynamics simulations of plasmonic nanoparticles

Xing Chen, Pengchong Liu, Lasse Jensen

Research output: Contribution to journalReview articlepeer-review

2 Scopus citations


Plasmonic properties of metal nanoparticles can be precisely controlled by tuning their size, shape, and surrounding environment. Nanoparticles in the quantum size regime with dimensions of a few nanometers exhibit unique plasmonic properties that are different than their bulk counterparts. In this regime, the plasmonic response becomes sensitive to microscopic details of the nanoparticle due to prominent quantum effects such as electron tunneling. Classical electrodynamic model fails to describe the plasmonic behavior in this region and fully quantum mechanical approaches are often needed although limited by their high computational demand. Alternatively, atomistic electrodynamics provides a promising approach as they benefit from both the efficiency of classical electrodynamics and the accuracy of atomistic representations like in quantum mechanics. Taking advantage of the atomistic description, the effects of subtle changes in nanoparticle structure and its influence on the plasmonic response and the near-field distribution in a cavity created by the strongly interacting nanoparticles can be captured. The atomistic electrodynamics model naturally fills the gap between quantum mechanical models and classical electrodynamics and holds great promise for studies of optoelectronics and near-field spectroscopies with dimensions such that the atomic structure of nanoparticles plays a central role in determining the optical response.

Original languageEnglish (US)
Article number363002
JournalJournal of Physics D: Applied Physics
Issue number36
StatePublished - Jul 3 2019

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Acoustics and Ultrasonics
  • Surfaces, Coatings and Films


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