Nitrogen-impurity-native-defect complexes in ZnSe

Article

关键词: P-TYPE ZNSE;    TOTAL-ENERGY CALCULATIONS;    BAND-GAP SEMICONDUCTORS;    SELF-COMPENSATION;    MAGNETIC-RESONANCE;    EPITAXIAL-GROWTH;    DOPED ZNSE;    ACCEPTORS;    PSEUDOPOTENTIALS;    VACANCY;   

DOI  :  10.1103/PhysRevB.57.12174

来源: SCIE

【 摘 要 】

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. [S0163-1829(98)00519-0].

【 授权许可】

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