Nitrogen-impurity-native-defect complexes in ZnSe

S. Pöykkö, M.J. Puska, R.M. Nieminen

Research output: Contribution to journalArticleScientificpeer-review

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Abstract

Total-energy calculations for defect complexes formed by nitrogen impurities and native defects in ZnSe are reported. Complexes formed by a substitutional nitrogen bound to a zinc interstitial or a selenium vacancy are shown to be the most probable candidates for the compensating defect in p-type ZnSe. Our results also show that the clustering of defects in ZnSe is an energetically favored process. This may explain the short lifetimes of ZnSe-based devices.
Original languageEnglish
Pages (from-to)12174-12180
Number of pages7
JournalPhysical Review B
Volume57
Issue number19
DOIs
Publication statusPublished - 15 May 1998
MoE publication typeA1 Journal article-refereed

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