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Microscopic Origins of Electron and Hole Stability in ZnO

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arxiv 1102.0400 v1 pith:CFXBFG7K submitted 2011-02-02 cond-mat.mtrl-sci

C. Richard A. Catlow , Alexey A. Sokol , Aron Walsh This is my paper · ORCID
classification cond-mat.mtrl-sci
keywords appliedassesscalculationscasedemonstratedirectdopingelectron
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A novel and direct method is proposed to assess the doping limits of semiconducting materials. Applied to the case of ZnO, our first-principles calculations demonstrate that p-type ZnO is thermodynamically unstable.

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