Due to their unique physical properties and reactivity, metallic nanoparticles (MNPs) play an important role in the design of novel nanodevices, especially in the field of molecular electronics. The optical properties of small MNPs are often determined by the so-called plasmon resonance, which involves the coherent motion of conduction band electrons driven by an external electromagnetic field.
In this project, we specifically investigate absorption spectra and electron dynamics upon photoexcitation, for example the difference electron density isosurfaces during excitation by a laser-pulse at the plasmon frequency. Therefore we study the plasmonic response of small, atomistically modeled MNPs using real-time time-dependent density functional theory (RT-TDDFT), as implemented in the OCTOPUS code. Here, we focus on the dependence of the plasmonic frequency on the material and size, comparing Na and Au MNPs. Futher the dependence of the plasmon lifetime is studied with respect to the laser pulse parameters.
Royle Perez Castillo
DynAMoS (Dynamical processes in Atomic and Molecular Systems)
Faculty of Physics, University of Havana, Cuba
HZB-Summer Student 2017
Institute of Methods for Material Development
Helmholtz-Zentrum Berlin, Germany