Projected Dipole Model for Quantum Plasmonics.

Area of Science:

• Condensed matter physics
• Quantum chemistry
• Nanophotonics

Background:

• Ab initio studies of quantum plasmonics are limited to very small nanostructures.
• Experimentally relevant metallic nanostructures are often too large for accurate ab initio calculations.

Purpose of the Study:

• To develop an effective, computationally efficient model for quantum plasmonics.
• To enable accurate simulation of large metallic nanostructures with quantum properties.

Main Methods:

• An effective description using an infinitely thin dipole layer on the metal surface.
• Mapping nonlocal polarizability from 1D quantum calculations (e.g., time-dependent density-functional theory).
• Application to 2D and 3D systems of any size tractable by classical electrodynamics.

Main Results:

• The model accurately captures quantum plasmonic aspects, including nonlocal response and finite work function.
• Quantum corrections to plasmon hybridization were observed in mesoscopic dimers with subnanometric gaps.

Conclusions:

• The proposed effective model bridges the gap between ab initio accuracy and computational feasibility for quantum plasmonics.
• It allows for the study of quantum effects in experimentally relevant, larger nanostructures.