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- W2003013469 abstract "Abstract The formation of native defects and incorporation of dopant impurities in ZnSe are addressed from a first-principles point of view. Our calculations of the atomic and electronic structure yield explicit microscopic information about atomic positions, relaxation and bonding. Hyperfine parameters are computed, which can be directly compared with experimental data. Our formalism also produces concentrations of the various defects and impurities. One of our major findings is that native defects are not responsible for the doping difficulties in ZnSe. Investigations of Li, a potential p-type dopant, indicate that the achievable hole concentration is restricted in this case by the limited stability and solubility of Li on the substitutional acceptor site." @default.
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- W2003013469 title "Theory of defects, impurities, and doping in ZnSe" @default.
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- W2003013469 doi "https://doi.org/10.1016/0022-2313(92)90229-3" @default.
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