Effect of Substrate Temperature on the Growth and Microstructure of ZnO Film

YL Liu and H Liu and W Li and Q Zhao and Y Qi, ACTA PHYSICO-CHIMICA SINICA, 29, 631-638 (2013).

DOI: 10.3866/PKU.WHXB201212122

Understanding the effect of temperature on the orientation, microstructure, integrity, and growth mechanism of ZnO films on the atomic scale is needed to clarify the process of film growth, control deposition conditions, and improve film quality. Using the reaction force field method of molecular dynamics, we theoretically studied the effect of substrate temperature (200, 500, and 800 K) on the quality of ZnO films. Some of our results agree with experimental observations. We found that the radial distribution function curves of the deposited structures were sharp and highly ordered. The thin film formed at 500 K possessed the most stable and ordered structure of those investigated. The film grew with an island mechanism, and two orientations were present on every deposited atomic plane, which led to the formation of a special fault structure at interfacial regions.

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