Ab-initio nanoplasmonics: The impact of atomic structure

Abstract

We present an ab-initio study of the hybridization of localized surface plasmons in a metal nanoparticle dimer. The atomic structure, which is often neglected in theoretical studies of quantum nanoplasmonics, has a strong impact on the optical absorption properties when sub-nanometric gaps between the nanoparticles are considered. We demonstrate that this influences the hybridization of optical resonances of the dimer, and leads to significantly smaller electric field enhancements as compared to the standard jellium model. In addition we show that the corrugation of the metal surface at a microscopic scale becomes as important as other well-known quantum corrections to the plasmonic response, implying that the atomic structure has to be taken into account to obtain quantitative predictions for realistic nanoplasmonic devices.

5 pages, 4 figures

References in corpus (3)

• Plasmons in nearly touching metallic nanoparticles: singular response in the limit of touching dimers
• Optical Rectification and Field Enhancement in a Plasmonic Nanogap
• Nonlocal Response of Metallic Nanospheres Probed by Light, Electrons, and Atoms

Cited by in corpus (8)

• Nonlocal optical response in metallic nanostructures
• The chemical effect goes resonant -- a full quantum mechanical approach on TERS
• A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics
• Roadmap on Nonlocality in Photonic Materials and Metamaterials
• Plasmonic modes of polygonal particles calculated using a quantum hydrodynamics method
• Are charged tips driving TERS-resolution? A full quantum chemical approach
• Ab-initio approach for gap plasmonics
• Quantum-hydrodynamic modal perspective on plasmonic gap structures