Kinetic Monte Carlo simulation of growth of BaTiO3 thin film via pulsed laser deposition
Considering the characteristics of perovskite structure,a kinetic Monte Carlo(KMC) model,in which Born-Mayer- Huggins(BMH) potential was introduced to calculate the interatomic interactions and the bonding ratio was defined to reflect the crystallinity,was developed to simulate the growth of BaTiO3 thin film via pulsed laser deposition(PLD).Not only the atoms deposition and adatoms diffusion,but also the bonding of adatoms were considered distinguishing with the traditional algorithm.The effects of substrate temperature,laser pulse repetition rate and incident kinetic energy on BaTiO3 thin film growth were investigated at submonolayer regime.The results show that the island density decreases and the bonding ratio increases with the increase of substrate temperature from 700 to 850 K.With the laser pulse repetition rate increasing,the island density decreases while the bonding ratio increases.With the incident kinetic energy increasing,the island density decreases except 6.2 eV＜Ek＜9.6 eV,and the bonding ratio increases at Ek＜9.6 eV.The simulation results were discussed compared with the previous experimental results.
kinetic Monte Carlo simulation pulsed laser deposition BaTiO3 thin film perovskite structure
ZHENG Xue-jun YANG Bo ZHU Zhe WU Bo MAO Yu-liang
Faculty of Materials and Photoelectronic Physics,Xiangtan University,Xiangtan 411105,China;Key Labor Faculty of Materials and Photoelectronic Physics,Xiangtan University,Xiangtan 411105,China
国际会议
2007年国际有色金属大会(International Conference of Nonfereous Materials 2007)(ICNFM)
长沙
英文
2007-11-28（万方平台首次上网日期，不代表论文的发表时间）