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• W2093965257 abstract "First-principles calculations based on LDA, LDA + U and an extrapolation scheme are performed to study the native point defects in zincblende ZnS, and the three methods give similar results. Zinc vacancies in the 2− charge state have extremely low formation energy at the conduction band minimum (CBM), thus they will heavily compensate the n-type doping of ZnS. In Zn-rich conditions, sulfur antisites and zinc interstitials in the zinc cage sites are compensating centers in p-type ZnS. Sulfur vacancies and sulfur intersitials in the zinc cage sites are negative-U centers. We compare our results with previous reports and obtain some new findings." @default.
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• W2093965257 date "2012-04-01" @default.
• W2093965257 modified "2023-10-16" @default.
• W2093965257 title "Native point defects in ZnS: First-principles studies based on LDA, LDA+U and an extrapolation scheme" @default.
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• W2093965257 doi "https://doi.org/10.1016/j.cplett.2012.02.008" @default.
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