Growth of a-axis ZnO films on the defective Substrate with different O Zn ratios a reactive force fi

• 作 者: Y.L.Liu[1]M.BabarShahzad[2]Y.Qi[1]
• 机 构: Institute of Materials Physics and Chemistry,School of Sciences,Northeastern University,Shenyang 110
• 出 处: 2014第二届中国网络安全大会
• 发表日期: 2014年期

　　The understanding of the growth process and formation mechanism of non-polar ZnO films in atomic-scale is crucial in adjusting and controlling the film deposition conditions.Using the advanced reactive force field based molecular dynamics method,we theoretically studied the effect of O/Zn ratios(8/10~10/8)on the quality of ZnO films.The comprehensive investigation of energy and temperature fluctuation profile,radial distribution function,the sputtering and injecting phenomenon,and layer coverage indicated that the film grown under stoichiometric conditions possesses the optimized quality.Furthermore,the auto-transformation ability of the substrate from defective to perfect stacking was presented and discussed by comparing to the perfect structure.The instant film growth configurations,atomic layer snapshots,and the interfacial morphology evolution were provided step-by-step to reveal the defect type and initial film nucleation and growth mechanism.