Abstract:Geometric structure and electronic structure of wurtzite ZnO have been calculated adopting first principle plane wave ultrosoft pseudo potential method based on density functional theory, and band structure, electronic state density, differential charge distribution of ZnO have been subjected to systematic analysis, the results of which show that ZnO is a type of wide gap and direct gap semiconductor, with conduction band bottom and valence band top at the point Γ of Brillouin zone and valence band top showing… Show more
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