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The atomic surface and interface structure of bare and metal-coated ZnO(0001)Zn-polar wafers were investigated via surface x-ray diffraction. All baresamples showed the presence of a (1x1) overlayer of oxygen atoms located at theon-top position above the terminating Zn atom, a structure predicted to beunstable by several density functional theory calculations. The same oxygenoverlayer is clearly seen at the interface of ZnO with both elemental andoxidized metal contact layers. No significant atomic relaxations are observedat surfaces and interfaces processed under typical device fabricationconditions.

Presence of a (1x1) oxygen overlayer on bare ZnO(0001) surfaces and at Schottky interfaces