The mechanism of Li, N dual-acceptor co-doped p-type ZnO
Source abstract
Abstract
The formation of single defects and defect complexes are investigated in Li, N co-doped ZnO by the first-principles plane wave method with projector augmented wave (PAW) pseudo-potential technology. We find that: (i) p-type conductivity could be achieved in single Li doped ZnO under an O-rich condition, since the formation energy of LiZn acceptor is much lower than the interstitial Lii; (ii) the dual-acceptor complex LiZn-NO is unlikely to form, and the good p-type conductivity is mainly attributed to the LiZn acceptor, even in Li, N co-doped ZnO; (iii) the additional introduction of N may help compensate the single Lii donor defects under certain growth conditions, but its role in the p-type conductivity in ZnO remains to be clarified.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: ZnO doping and properties · Gas Sensing Nanomaterials and Sensors · Ga2O3 and related materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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