Intrinsic Point Defects in Zinc Oxide: Modeling of Structural, Electronic, Thermodynamic and Kinetic Properties
The present dissertation deals with the modeling of zinc oxide on the atomic scale employing both quantum mechanical as well as atomistic methods. The first part describes quantum mechanical calculations based on density functional theory of intrinsic point defects in ZnO. To begin with, the geometr...
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| Format: | Others |
| Language: | English en |
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2006
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| Online Access: | http://tuprints.ulb.tu-darmstadt.de/726/1/prim.pdf Erhart, Paul <http://tuprints.ulb.tu-darmstadt.de/view/person/Erhart=3APaul=3A=3A.html> : Intrinsic Point Defects in Zinc Oxide: Modeling of Structural, Electronic, Thermodynamic and Kinetic Properties. [Online-Edition] Technische Universität, Darmstadt [Ph.D. Thesis], (2006) |