Plasmon Excitation and Decay in Metallic Nano-particle at Semiconductor Surface: RT-TDDFT simulation

We employ real-time time-dependent density functional theory (RT-TDDFT) to study the process of plasmon-induced charge transfer from a plasmonic metal nanoparticle to semiconductor surface at the interface. Using the recently-developed approach of propagating maximally-localized Wannier functions in RT-TDDFT, we describe out-of-equilibrium dynamics of the plasmon in the nano-particle and the resulting effect at the interface. In this work we focus specifically on the plasmonic Ag₂₀ nanocluster interfaced with a hydrogenated silicon surface. We will discuss how the decay of plasmon excitation results in the energy transfer to the semiconductor.