O 65: Density functional theory and beyond for real materials III
Donnerstag, 25. März 2010, 10:30–13:15, H34
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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
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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
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11:00 |
O 65.3 |
Atomic-level elucidation of the initial stages of self-assembled monolayer metallization — •John Keith and Timo Jacob
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11:15 |
O 65.4 |
Benzene on Cu(111): Adsorption and Assembly by Lateral van der Waals and Surface-State-Mediated Interactions — Kristian Berland, •Theodore L. Einstein, and Per Hyldgaard
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11:30 |
O 65.5 |
Kohn-Sham potential for spherical fullerenes — •Yaroslav Pavlyukh and Jamal Berakdar
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11:45 |
O 65.6 |
Reliable Kohn-Sham eigenvalues and self-interaction: a study on organic semiconductors — •Thomas Körzdörfer and Stephan Kümmel
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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
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12:15 |
O 65.8 |
Modeling the electronic properties of Pi-conjugated self-assembled monolayers — •Egbert Zojer, Ferdinand Rissner, and Georg Heimel
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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
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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
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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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