A three-dimensional finite-difference time-domain study of the plasmonic structure of nanoparticles on metallic film (NPOM) is presented in this work. An introduction to nanoparticle (NP) faceting in the NPOM structure produced a variety of complex transverse cavity modes, which were labeled S₁₁ to S₁₃. We observed that the dominant S₁₁ mode resonance could be tuned to the desired wavelength within a broadband range of ~800 nm, with a maximum resonance up to ~1.42 µm, as a function of NP facet width. Despite being tuned at the broad spectral range, the S₁₁ mode demonstrated minimal decrease in its near field enhancement characteristics, which can be advantageous for surface-enhanced spectroscopy applications and device fabrication perspectives. The identification of mode order was interpreted using cross-sectional electric field profiles and three-dimensional surface charge mapping. We realized larger local field enhancement in the order of ~10⁹, even for smaller NP diameters of 50 nm, as function of the NP faceting effect. The number of radial modes were dependent upon the combination of NP diameter and faceting length. We hope that, by exploring the sub-wavelength complex optical properties of the plasmonic structures of NPOM, a variety of exciting applications will be revealed in the fields of sensors, non-linear optics, device engineering/processing, broadband tunable plasmonic devices, near-infrared plasmonics, and surface-enhanced spectroscopy.

We reveal the significance of plasmonic nanoparticle’s (NP) shape and its surface morphology en route to an efficient self-assembled plasmonic nanoparticle cluster. A simplified model is simulated in the form of free-space dimer and trimer nanostructures (NPs in the shape of a sphere, cube, and disk). A ~200% to ~125% rise in near-field strength (gap mode enhancement) is observed for spherical NPs in comparison with cubical NPs (from 2 nm to 8 nm gap sizes). Full-width three-quarter maximum reveals better broad-spectral optical performance in a range of ~100 nm (dimer) and ~170 nm (trimer) from spherical NPs as compared to a cube (~60 nm for dimer and trimer). These excellent properties for sphere-based nanostructures are merited from its dipole mode characteristics.