Abstract
Metallic nanoparticles can self-assemble into highly ordered superclusters for potential applications in optics and catalysis. Here, using first-principles quantum mechanical calculations, we investigate plasmon coupling in superclusters made of aluminum nanoparticles. More specifically, we study/compare the plasmon coupling in close-pack FCC (face-centered-cubic) and non-close-pack BCC (body-centered-cubic) superclusters. We demonstrate that the optical properties of these clusters can be fine-tuned with respect to the packing arrangement. As a key result of this work, plasmon coupling is found to be enhanced (diminished) in FCC (BCC) superclusters due to constructive (destructive) plasmon coupling. Our quantum calculations would help in the design of Al-based superclusters beneficial for plasmonics applications.