兴奋剂
氧气
群(周期表)
材料科学
间质缺损
结晶学
宽禁带半导体
氧原子
锌
化学
冶金
分子
光电子学
有机化学
作者
Yanfa Yan,Mowafak Al‐Jassim,Su‐Huai Wei
摘要
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 0.5eV, 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.
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