ABINIT Discussion Forums

Probing plasmonics using valence-loss spectroscopy: simulation

Andrew Horsfield & David W McComb

A funded PhD studentship for EU and UK students, supported by the Leverhulme Trust, is available starting October 1st 2010. This challenging theoretical project will be carried out in close collaboration with experimentalists who use a state-of-the-art transmission electron microscope at Imperial College. It will give you an opportunity to participate in the activities of the Thomas Young Centre for the theory and simulation of materials (http://www.thomasyoungcentre.org/), and the new Centre for Plasmonics and Metamaterials (http://www3.imperial.ac.uk/plasmonmeta).

Valence-loss spectroscopy performed in a monochromated transmission electron microscope has the potential to provide maps of localised surface plasmons in nanostructures with high spatial and energy resolution. Currently, the technique is being applied by many academics at Imperial College to investigate a wide variety of systems relevant to nanotechnology, security and healthcare. We will perform highly accurate calculations of the spectra produced by the microscope to enable the data to be interpreted accurately. We will use the GW approximation as implemented in the program abinit to compute accurate energies for the electrons, from which bulk dielectric functions will be derived. From this we can identify both single particle and bulk plasmon excitations. If excitons are important, GW is no longer sufficient. For semiconducting or insulating systems, where static excitons are present, we will consider other methods.

For more information please contact Andrew Horsfield (a.horsfield@imperial.ac.uk).