Effects of intrinsic defects on electronic structure and optical properties of Ga-doped ZnO

Minghsien Lee,Yenchun Peng,Hsuanchung Wu

Journal of Alloys and Compounds（2014）

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摘要

•Ab initio calculations of GZO with intrinsic defects were investigated.•GaZnVO model demonstrated poor electrical conductivity and transmittance.•VZn and Oi in GZO decreased carrier concentration and mobility.•GaZn model possesses superior photoelectric features.

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关键词

Ab initio,ZnO,Intrinsic defects,Electronic structure,Optical properties

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