论文标题
IV组复合半导体中生长动力学的模拟
Simulation of the growth kinetics in group IV compound semiconductors
论文作者
论文摘要
我们提出了一种随机仿真方法，旨在研究原子分辨率的生长动力学以SP3型键合对称性为特征的化合物的生长动力学。针对3C-SIC材料的特定情况讨论了形式化和实施细节。我们数值工具的关键特征是能够模拟点状和扩展缺陷的演变，而原子动力学则严格依赖于过程相关参数。特别是，模拟可以描述晶体的表面状态和缺陷的产生/演化，这是初始底物条件的函数以及模拟参数的校准。我们证明，与实际处理样品的结构表征相比，研究系统的微观结构演化的定量预测很容易。
We present a stochastic simulation method designed to study at an atomic resolution the growth kinetics of compounds characterized by the sp3-type bonding symmetry. Formalization and implementation details are discussed for the particular case of the 3C-SiC material. A key feature of our numerical tool is the ability to simulate the evolution of both point-like and extended defects, whereas atom kinetics depend critically on process-related parameters. In particular, the simulations can describe the surface state of the crystal and the generation/evolution of defects as a function of the initial substrate condition and the calibration of the simulation parameters. We demonstrate that quantitative predictions of the microstructural evolution of the studied systems can be readily compared with the structural characterization of actual processed samples.
