Berlin 2012 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 17: Poster Session
MM 17.40: Poster
Monday, March 26, 2012, 17:00–19:00, Poster B
On the Interpretation of ELNES - Spectra in the Al1−xTixN-System — •Simon Lamowski, Torsten Weißbach, and Jens Kortus — TU Bergakademie Freiberg Institut für Theoretische Physik, Leipziger Str. 23, 09596 Freiberg, Germany
In the particular system studied here layered structures were characterized by Electron energy-Loss Near Edge Structures (ELNES) measurements scanned along a perpendicular direction with respect to the interface.
By means of ab initio Density Functional Theory (DFT) calculations using a Projected Augmented plane Wave (PAW) basis set as implemented in the Abinit code we investigate structural and electronic factors which influence the ELNES. Further , we go beyond standard DFT by solving the Bethe * Salpeter - Equation to obtain the ELNES - spectra using the YAMBO package.