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Structural properties of ZnO polymorphs |
Jan Wróbel 1, Jacek Piechota 2 |
1. Warsaw University of Technology, Faculty of Physics, Koszykowa 75, Warszawa 00-662, Poland |
Abstract |
The first principles calculations by using the plane-wave pseudopotential method in the scheme of density functional theory were performed for polymorphs of ZnO: wurzite-, zinc-blende-, rocksalt-structures, and yet undiscovered CsCl-structure. The elastic behaviour and the stability of the structures are investigated and compared to experimental data, where available. |
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Presentation: Poster at E-MRS Fall Meeting 2006, Symposium F, by Jan WróbelSee On-line Journal of E-MRS Fall Meeting 2006 Submitted: 2006-05-15 20:10 Revised: 2009-06-07 00:44 |