Start: 2009-03-11 16:00
End: 2009-03-11 18:00
- Density-functional study of the BaBi(Q)TiO_3 perovskite solid solution
Using density-functional theory we predict properties of the solid solution perovskites BaBi(Q)TiO_3 where Q is Mg, Ni or Zn. These properties are strongly affected by the presence of both A-site and B-site disorder. We study all distinct orderings within a given 2x2x2 supercell.
- Electrostatic signatures of single protein dynamics for detection with carbon nanotube sensors
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