MM 59: Computational Materials Modelling IX - Ferroelectrics
Thursday, April 3, 2014, 15:45–17:45, IFW D
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15:45 |
MM 59.1 |
Ferroelastic Switching of Doped Zirconia – First-Principles Insights — •Christian Carbogno, Carlos G. Levi, Chris G. Van de Walle, and Matthias Scheffler
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16:00 |
MM 59.2 |
Microscopic description of BaTiO3 and related materials near the ferroelectric phase transition — •Giovanni Pizzi, Andrea Cepellotti, Samed Halilov, Boris Kozinsky, Marco Fornari, and Nicola Marzari
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16:15 |
MM 59.3 |
Polarization rotation at the ferroelectric domain walls of PbTiO3 and PZT — •Anand Chandrasekaran, Dragan Damjanovic, Nava Setter, and Nicola Marzari
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16:30 |
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15 min break
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16:45 |
MM 59.4 |
Study of nonmagnetic and ferromagnetic fcc cerium with one-electron methods — •Fabien Tran, Ferenc Karsai, and Peter Blaha
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17:00 |
MM 59.5 |
Comparison of transition path sampling and metadynamics for the study of solid-liquid interface properties — •Daniel Sopu, Xueyong Pang, Jutta Rogal, Rebecca Janisch, and Ralf Drautz
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17:15 |
MM 59.6 |
Crystal structure prediction of materials in the BCNOP system at high pressure — •Zamaan Raza and Marco Saitta
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17:30 |
MM 59.7 |
The contribution has been moved to O 56.4A.
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