MM 35: Computational Materials Modelling - Phonons & Phase Stability
Mittwoch, 13. März 2013, 11:45–13:00, H24
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11:45 |
MM 35.1 |
Phonon dispersions in iron: comparing empirical potentials with first-principles calculations and experimental results — •Daniele Dragoni, Davide Ceresoli, and Nicola Marzari
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12:00 |
MM 35.2 |
Ab initio finite temperature description of α Ti including anharmonic contributions — •Dominique Korbmacher, Albert Glensk, Blazej Grabowski, and Jörg Neugebauer
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12:15 |
MM 35.3 |
Modelling phonons in SixGe1−x alloys — •Ankita Katre, Georg K. H. Madsen, and Ralf Drautz
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12:30 |
MM 35.4 |
Comparison of phonon frequencies and polarization vectors obtained from fitted force constants or from ab initio force constants — •Christian Illg, Bernd Meyer, and Manfred Fähnle
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12:45 |
MM 35.5 |
Atomistic Modelling of Flexoelectricity in Periclase — Philipp Beck, •Johannes Roth, and Hans-Rainer Trebin
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