Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5384363 | Chemical Physics Letters | 2011 | 4 Pages |
Abstract
⺠Transformations of 3D perovskite (pv) to 2D post-perovskite ppv (ABO3) with pressure P are known. âºWe propose in parallel the K2NiF4-type (knf) as a potential low P form of Ca2IrO4-type (pknf). âºP-transformation of 2D corner sharing octahedra (knf) to 1D edge sharing octahedra (pknf). âºArgumentation based on DFT computations of equation of state, charge density; DOS for Ca2PtO4 case.
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Authors
Samir F. Matar, Gérard Demazeau,