Hydrogen as a cause of doping in zinc oxide
Hydrogen as a cause of doping in zinc oxide
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DOI：
10.1103/physrevlett.85.1012
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发表时间：
2000-07-31
影响因子：
8.6
通讯作者：
Van de Walle, CG
中科院分区：
文献类型：
--
作者：
Van de Walle, CG
氧化锌是一种具有广泛应用的宽带隙半导体，具有典型的n型导电性。这种导电性的原因一直存在广泛的争论。一项基于密度泛函理论的第一性原理研究提供了强有力的证据，证明氢是电导率的来源：它可以在高浓度下结合，并表现为浅层供体。这种行为是出乎意料的，与氢在其他半导体中的作用非常不同，在其他半导体中，氢只是作为补偿中心，总是抵消普遍的导电性。这些见解对控制和利用氧化物中的氢具有重要意义。
Zinc oxide, a wide-band-gap semiconductor with many technological applications, typically exhibits n-type conductivity. The cause of this conductivity has been widely debated. A first-principles investigation, based on density functional theory, produces strong evidence that hydrogen acts as a source of conductivity: it can incorporate in high concentrations and behaves as a shallow donor. This behavior is unexpected and very different from hydrogen's role in other semiconductors, in which it acts only as a compensating center and always counteracts the prevailing conductivity. These insights have important consequences for control and utilization of hydrogen in oxides in general.