在裸露的ZnO（0001）表面和肖特基界面上存在（1x1）氧覆盖层
Presence of a (1x1) oxygen overlayer on bare ZnO(0001) surfaces and at Schottky interfaces
摘要：
利用表面X射线衍射技术研究了ZnO（0001）Zn极性晶片的原子表面和界面结构。所有裸露的样品都显示出位于终止Zn原子上方的顶部位置处的氧原子的（1x1）覆盖层的存在，通过几种密度泛函理论计算预测该结构是不稳定的。在ZnO与元素和氧化金属接触层的界面处清楚地看到相同的氧覆盖层。在典型的器件制造条件下处理的表面和界面处没有观察到显著的原子弛豫。
英文摘要：
The atomic surface and interface structure of bare and metal-coated ZnO(0001) Zn-polar wafers were investigated via surface x-ray diffraction. All bare samples showed the presence of a (1x1) overlayer of oxygen atoms located at the on-top position above the terminating Zn atom, a structure predicted to be unstable by several density functional theory calculations. The same oxygen overlayer is clearly seen at the interface of ZnO with both elemental and oxidized metal contact layers. No significant atomic relaxations are observed at surfaces and interfaces processed under typical device fabrication conditions.
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