Electronic structure at interfaces and nanostructures
Université d’Anvers, EMAT, Belgique
Tue, Jun. 26th 2007, 11:00
Bât. C5 P.421A, CEA-Grenoble
Some investigations of surfaces, interfaces and nanostructures, focusing on the theoretical and numerical simulations of electronic structure, are presented.
As first example deals with the electronic sub-bands of 2D electron gas at the surfaces of n-doped narrow-gap III-V semiconductors, induced by deposition of metals atoms, are modeled and compared to experimental results obtained with very-high resolution photoemission spectroscopy.
In the second case I study the interaction between a graphene layer and Ni(111) surface using ab-initio density functional methods (DFT), determining the influence of interface states in the band structure and carbon energy-loss spectra.
A similar approach is used for different chiral carbon nanotubes, where the effects of rehybridization in the electronic states on the density of states and the energy-loss spectra are explored.