Distribution of Co ions and its effect on magnetic properties of ZnO:Co in the presence of native point defects, oxygen vacancy, and interstitial hydrogen, have been investigated using first-principles density functional calculations. The study provides a fundamental theoretical understanding on the correlation between magnetism and the distribution of magnetic ions and the native point defects in the semiconducting host. Results show that Co ions have a strong tendency toward aggregation via oxygen within plane in the presence of point defects. The room temperature ferromagnetism observed experimentally in ZnO:Co is mainly dominated by the interstitial hydrogen rather than oxygen vacancy.
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Research Article| August 18 2009
Subtle interplay between native point defects and magnetism in ZnO:Co
M. H. N. Assadi;
Y. B. Zhang;
M. H. N. Assadi, Y. B. Zhang, S. Li; Subtle interplay between native point defects and magnetism in ZnO:Co. Appl. Phys. Lett. 17 August 2009; 95 (7): 072503. https://doi.org/10.1063/1.3210793
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