Microscopic Origins of Electron and Hole Stability in ZnO
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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