Evidence for native-defect donors in n-type ZnO.

@article{Look2005EvidenceFN,
  title={Evidence for native-defect donors in n-type ZnO.},
  author={David C. Look and Gary Colbert Farlow and Pakpoom Reunchan and Sukit Limpijumnong and S. B. Zhang and Kai Nordlund},
  journal={Physical review letters},
  year={2005},
  volume={95 22},
  pages={
          225502
        }
}
Recent theory has found that native defects such as the O vacancy V(O) and Zn interstitial Zn(I) have high formation energies in n-type ZnO and, thus, are not important donors, especially in comparison to impurities such as H. In contrast, we use both theory and experiment to show that, under N ambient, the complex Zn(I)-N(O) is a stronger candidate than H or any other known impurity for a 30 meV donor commonly found in bulk ZnO grown from the vapor phase. Since the Zn vacancy is also the… 

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References

SHOWING 1-8 OF 8 REFERENCES

Point Defects in Materials

This text provides an up-to-date coverage of the theoretical and experimental tools required for fundamental studies of point defects, with illustrative examples from a wide range of inorganic

and P

    Evidence for Native - Defect Donors in n - Type ZnO

      Semicond

      • Sci. Technol. 20, S55
      • 2005

      E-PRLTAO-030548 for the calculated defect formation energy. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage

        Comput

        • Mater. Sci. 6, 15
        • 1996

        Mater

        • Sci. Eng. B 80, 383
        • 2001