Regensburg 2010 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 65: Density functional theory and beyond for real materials III

Donnerstag, 25. März 2010, 10:30–13:15, H34

10:30 O 65.1 Mott transition and Mahan exciton in MgO and ZnO from first principles — •André Schleife, Claudia Rödl, Frank Fuchs, Karsten Hannewald, and Friedhelm Bechstedt
10:45 O 65.2 Unravelling the enigma of the F center in MgO with many-body perturbation theory — •Patrick Rinke, Anderson Janotti, Andre Schleife, Emmanouil Kioupakis, Claudia Roedl, Friedhelm Bechstedt, Chris G. Van de Walle, and Matthias Scheffler
11:00 O 65.3 Atomic-level elucidation of the initial stages of self-assembled monolayer metallization — •John Keith and Timo Jacob
11:15 O 65.4 Benzene on Cu(111): Adsorption and Assembly by Lateral van der Waals and Surface-State-Mediated InteractionsKristian Berland, •Theodore L. Einstein, and Per Hyldgaard
11:30 O 65.5 Kohn-Sham potential for spherical fullerenes — •Yaroslav Pavlyukh and Jamal Berakdar
11:45 O 65.6 Reliable Kohn-Sham eigenvalues and self-interaction: a study on organic semiconductors — •Thomas Körzdörfer and Stephan Kümmel
12:00 O 65.7 A DFT study on electronic structure and vibronic properties of d8 (Ni-, Pd-, and Pt-) phthalocyanines — •Davoud Pouladsaz, Thiruvancheril G. Gopakumar, and Michael Schreiber
12:15 O 65.8 Modeling the electronic properties of Pi-conjugated self-assembled monolayers — •Egbert Zojer, Ferdinand Rissner, and Georg Heimel
12:30 O 65.9 Charge transport through O-deficient Au-MgO-Au junctions — •Mohamed Fadlallah, Cosima Schuster, Udo Schwingenschlögl, Ivan Rungger, and Ulrich Eckern
12:45 O 65.10 Functionalized Tips Leading towards Ultimate Resolution of Atomic Force Microscopy — •Nikolaj Moll, Leo Gross, Fabian Mohn, Alessandro Curioni, and Gerhard Meyer
13:00 O 65.11 Yttria stabilized Zirconia: A first principles study — •Christian Carbogno, Hepeng Ding, Feng Liu, and Matthias Scheffler
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