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Regensburg 2013 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 18: Computational Materials Modelling - Phase Stability I

Tuesday, March 12, 2013, 10:15–11:30, H24

10:15 MM 18.1 Stability and superconductivity of Ca-B under pressure — •Sheena Shah and Aleksey Kolmogorov
10:30 MM 18.2 A joint DFT and experimental study of the competing phases of Calcium at high-pressures and low-temperatures — •Deepa Kasinathan, Carina Boerrnert, Michael Hanfland, Jens Hunger, Helge Rosner, and Ulrich Schwarz
10:45 MM 18.3 Crystal structure prediction and electronic properties of Li-based ternary compounds — •Maia G. Vergniory, Miguel A. L. Marques, Silvana Botti, Max Amsler, Stefan Goedecker, Irais Valencia, Antonio Sanna, Evgueni V. Chulkov, Arthur Ernst, Aldo H. Romero, and Eberhard K. U. Gross
11:00 MM 18.4 The effect of partial occupancies on lithium ion diffusivity in lithium titanate oxides — •Benedikt Ziebarth
11:15 MM 18.5 Prediction of a hybrid graphene-diamond like phase — •Silvia Bahmann, Torsten Weißbach, and Jens Kortus
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