| Kinetic Monte Carlo simulation of growth of BaTiO3 thin film via pulsed laser deposition |
| |
| 作者姓名： | 郑学军 杨博 朱哲 吴波 毛宇亮 |
| |
| 作者单位： | [1]Faculty of Materials and Photoelectronic Physics, Xiangtan University, Xiangtan 411105, China [2]ey Laboratory for Low Dimensional Materials and Application Technology （Ministry of Education）, Xiangtan University, Xiangtan 411105, China |
| |
| 基金项目： | 国家自然科学基金;湖南省教育厅自然科学基金 |
| |
| 摘 要： | 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.
|
| 关 键 词： | 蒙特卡罗模拟 脉冲激光沉积 BaTiO3薄膜 钙钛矿 |
| 收稿时间： | 15 July 2007 |
| 修稿时间： | 2007-07-15 |
Kinetic Monte Carlo simulation of growth of BaTiO3 thin film via pulsed laser deposition |
| |
| Xue-jun ZHENG, Bo YANG, Zhe ZHU, Bo WU,Yu-liang MAO.Kinetic Monte Carlo simulation of growth of BaTiO3 thin film via pulsed laser deposition[J].Transactions of Nonferrous Metals Society of China,2007,17(6):1441-1446. |
| |
| Authors: | Xue-jun ZHENG Bo YANG Zhe ZHU Bo WU Yu-liang MAO |
| |
| Affiliation: | 1. Faculty of Materials and Photoelectronic Physics, Xiangtan University, Xiangtan 411105, China; 2. Key Laboratory for Low Dimensional Materials and Application Technology (Ministry of Education |
| |
| 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<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. |
| |
| Keywords: | kinetic Monte Carlo simulation pulsed laser deposition BaTiO3 thin film perovskite structure |
| 本文献已被 维普 万方数据 ScienceDirect 等数据库收录！ |
|
