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.

Na65 difference electron density isosurfaces during excitation by laser-pulse at the plasmon frequency.

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

@ Theory Group lead by Annika Bande

Institute of Methods for Material Development

Helmholtz-Zentrum Berlin, Germany



  1. Very nice picture and a short intro into your project, which is then well described. It is written for an audience with solid state physics background and special interests.

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