Kinetic Monte Carlo simulation of growth of BaTiO₃ thin film via pulsed laser deposition

来源期刊：中国有色金属学报(英文版)2007年第6期

论文作者：郑学军 杨博 朱哲 吴波 毛宇亮

文章页码：1441 - 1446

Key words：kinetic Monte Carlo simulation; pulsed laser deposition; BaTiO₃ thin film; perovskite structure

Abstract: 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＜E_k＜9.6 eV, and the bonding ratio increases at E_k＜9.6 eV. The simulation results were discussed compared with the previous experimental results.

基金信息：the Key Project of Education Department of Hunan Province, China
the Key Project of Ministry of Education of PRC
Key Project of Scientific and Technological Department of Hunan Province, China
the National Natural Science Foundation of China