title: Site-specific ionisation edge fine-structure of Rutile in the electron microscope.
abstract: Combined Bloch-wave and density functional theory simulations are performed to investigate the effects of different channelling conditions on the fine-structure of electron energy-loss spectra. The simulated spectra compare well with experiments. Furthermore, we demonstrate that using this technique, the site-specific investigation of atomic orbitals is possible. This opens new possibilities for chemical analyses.
authors.affiliation: University Service Centre for Transmission Electron Microscopy, Vienna University of Technology, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria; Thin Films and Physics of Nanostructures, Department of Physics, Bielefeld University, Universitätsstrasse 25, D-33615 Bielefeld, Germany. Electronic address: walid.hetaba@tuwien.ac.at.
authors.forename: Walid
authors.initials: W
authors.lastname: Hetaba
authors.affiliation: University Service Centre for Transmission Electron Microscopy, Vienna University of Technology, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria.
authors.forename: Stefan
authors.initials: S
authors.lastname: Löffler
authors.affiliation: Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
authors.forename: Marc-Georg
authors.initials: MG
authors.lastname: Willinger
authors.affiliation: Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
authors.forename: Manfred Erwin
authors.initials: ME
authors.lastname: Schuster
authors.affiliation: Department of Inorganic Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
authors.forename: Robert
authors.initials: R
authors.lastname: Schlögl
authors.affiliation: University Service Centre for Transmission Electron Microscopy, Vienna University of Technology, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria; Institute of Solid State Physics, Vienna University of Technology, Wiedner Hauptstrasse 8-10, A-1040 Wien, Austria.
authors.forename: Peter
authors.initials: P
authors.lastname: Schattschneider
keywords: Channelling; EELS; ELCE