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

来源 :中国有色金属学会会刊(英文版) | 被引量 : 0次 | 上传用户:octaaug
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Considering the characteristics of perovskite structure, a kinetic Monte Carlo(KMC) model, in which Bom-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.
其他文献
La2/3Sr1/3Mn1-xZnxO3 films (x=0.05, 0.1, 0.3, and 0.5) were prepared using magnetron sputtering method, and the effect of Zn doping on transport properties of t
Ti-23Nb-0.7Ta-2Zr-O (TNTZO, molar fraction, %) alloy is a newly developed multifunctional β-type titanium alloy. This alloy was reported to deform via a unique
The enhancement of chemical absorption of CO2 by K2CO3/H2O absorbents in the presence of activated carbon (AC) particles was investigated. The results show that
Microstructure consisting of ferrite, bainite and retained austenite can be obtained through intercritical annealing and isothermal treatment in bainite transfo
The effects of Sr addition on microstructures and tensile properties of the as-cast and hot-extruded AZ80 alloys were studied by OM, SEM, EDS, XRD, DSC and Inst
Composite materials having lamellar structure are known to have a good combination of high strength and ductility. They are widely used in the fields of automob
The magnetocaloric effect in alloys Gd(Al1-xCox)2 with x=0, 0.05, and 0.10 were investigated using X-ray diffraction (XRD) and magnetization measurements.It was
The deformation behaviour of a casting Mg-3.6%Er magnesium alloy after T6 treatment was studied in tensile tests from room temperature to 450 ℃ under different
A dual cell system was used to study the output power, output voltage, galvanic polarization of anode and cathode, and the relationship between the electric qua
Taking into account the whole system structure and the component reliability estimation uncertainty, a system reliability estimation method based on probability