MM 18: Computational Materials Modelling - Phase Stability I
Tuesday, March 12, 2013, 10:15–11:30, H24
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10:15 |
MM 18.1 |
Stability and superconductivity of Ca-B under pressure — •Sheena Shah and Aleksey Kolmogorov
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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
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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
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11:00 |
MM 18.4 |
The effect of partial occupancies on lithium ion diffusivity in lithium titanate oxides — •Benedikt Ziebarth
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11:15 |
MM 18.5 |
Prediction of a hybrid graphene-diamond like phase — •Silvia Bahmann, Torsten Weißbach, and Jens Kortus
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