Chlorine-impurity-related defects in ZnSe

S. Pöykkö, M.J. Puska, R.M. Nieminen

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Defect complexes formed by chlorine-impurity atoms and native defects in ZnSe are studied by first-principles electronic-structure calculations. The strong tendency for the formation of vacancy-impurity pairs is shown. The chlorine-impurity–zinc-vacancy complex is shown to be the most important source of donor compensation. The results presented are compared with recent experimental results.
Original languageEnglish
Pages (from-to)12164-12168
Number of pages5
JournalPhysical Review B
Issue number19
Publication statusPublished - 15 May 1998
MoE publication typeA1 Journal article-refereed

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