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• W2019930784 startingPage "10965" @default.
• W2019930784 abstract "Wide-band-gap semiconductors typically can be doped either n type or p type, but not both. Compensation by native point defects has often been invoked as the source of this difficulty. We examine the wide-band-gap semiconductor ZnSe with first-principles total-energy calculations, using a mixed-basis program for an accurate description of the material. Formation energies are calculated for all native point defects in all relevant charge states; the effects of relaxation energies and vibrational entropies are investigated. The results conclusively show that native-point-defect concentrations are too low to cause compensation in stoichiometric ZnSe. We further find that, for nonstoichiometric ZnSe, native point defects compensate both n-type and p-type material; thus deviations from stoichiometry cannot explain why ZnSe can be doped only one way." @default.
• W2019930784 created "2016-06-24" @default.
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• W2019930784 date "1992-05-15" @default.
• W2019930784 modified "2023-10-09" @default.
• W2019930784 title "Native defects and self-compensation in ZnSe" @default.
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• W2019930784 doi "https://doi.org/10.1103/physrevb.45.10965" @default.
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