Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (03): 631-638.doi: 10.3866/PKU.WHXB201212122

• PHYSICAL CHEMISTRY OF MATERIALS • Previous Articles     Next Articles

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

LIU Yong-Li1, LIU Huan1, LI Wei1, ZHAO Qian2, QI Yang1   

  1. 1 Institute of Material Physics and Chemistry, College of Science, Northeastern University, Shenyang 110819, P. R. China;
    2 Physics Experiment Center, College of Science, Shenyang University of Technology, Shenyang 110031, P. R. China
  • Received:2012-09-12 Revised:2012-12-10 Published:2013-02-25
  • Supported by:

    The project was supported by the Fundamental Research Funds for the Central Universities, China (N100305001, N110205001, N110105001) and National Natural Science Foundation of China (51172040).

Abstract:

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.

Key words: Molecular dynamics method, Film growth, Microstructure, ZnO

MSC2000: 

  • O641