Based on first-principles calculations, we present a study for -type ZnO doping. We find that by doping Fe into the -type ZnO, the resulting complex is a stable acceptor that has shallower transition level and lower formation energy in comparison with the isolated . Moreover, the pair is another resulting defect that is a shallow acceptor, for which the minimum formation energy occurs at the O-rich limit. As parent defects, behave as deep donor that do not lead to overcompensation. Therefore, Fe-related acceptor complexes may be promising candidates for -type ZnO doping.
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2010
American Institute of Physics
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