Doping of ZnO by Group-IB Elements

Yanfa Yan, M. M. Al-Jassim, Su Huai Wei

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331 Scopus Citations


The authors present their first-principles calculations of doping effects in ZnO with group-IB elements such as Cu, Ag, and Au. The calculated transition energies ε (0-) for substitutional Cu, Ag, and Au are 0.7, 0.4, and 0.5 eV, respectively. The calculated formation energies are very low for these group-IB elements on the substitutional sites, but rather high at the interstitial sites under oxygen-rich growth conditions. Under the conditions, the formation of major hole-killer defects, such as oxygen vacancies and Zn interstitial, are suppressed. Thus, Ag may be a good candidate for producing p -type ZnO.

Original languageAmerican English
Article numberArticle No. 181912
Number of pages3
JournalApplied Physics Letters
Issue number18
StatePublished - 2006

NREL Publication Number

  • NREL/JA-520-40387


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