Atomistic modelling of anisotropic etching of crystalline silicon
Atomistic modelling of anisotropic etching of crystalline silicon
复制标题
晶体硅各向异性蚀刻的原子建模
DOI：
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发表时间：
2003
期刊：
影响因子：
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通讯作者：
M. Gosálvez
中科院分区：
文献类型：
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作者：
M. Gosálvez
建立了一个模拟晶体硅各向异性湿法化学腐蚀的原子模型。特别注意的是原子过程之间的关系，介观特征的表面形态和宏观各向异性的过程中，桥接不同的长度尺度。原子模型的发展是通过原子动力学蒙特卡罗和元胞自动机模拟与实验结果的直接比较，由第一性原理计算指导。该模型解释了蚀刻过程的各向异性和取向依赖的表面形态作为两种不同的表现形式相同的原子机制，即，削弱后的背键OH终止表面原子和终止物种（H/OH）之间存在显着的相互作用。的原子模型的多功能性证明了模拟的蚀刻结构和表面形态的浓度和时间依赖性。已经作出了大量的努力，以开发一个有效的程序，以模拟在任意取向的，大的，微米尺度的系统中的掩模图案的存在（或不存在）的蚀刻过程，并考虑温度和蚀刻剂浓度的影响。该程序具有很大的潜力，在工业应用中的工艺参数的优化使用。
An atomistic model for the simulation of anisotropic wet chemical etching of crystalline silicon is developed. Special attention is paid to the relation between the atomistic processes, the mesoscopic features of the surface morphology and the macroscopic anisotropy of the process, bridging the different length scales. The development of the atomistic model is made by direct comparison of atomistic kinetic Monte Carlo and Cellular Automaton simulations with experimental results, guided by first-principles calculations. The model explains the anisotropy of the etching process and the orientation-dependent surface morphology as two different manifestations of the same atomistic mechanisms, namely, the weakening of backbonds following OH termination of surface atoms and the existence of significant interaction between the terminating species (H/OH). The versatility of the atomistic model is demonstrated by the concentration and time dependence of the simulated under-etched structures and surface morphology. A substantial effort has been made to develop an efficient program in order to simulate the etching process in arbitrarily oriented, large, micrometerscale systems in the presence (or absence) of masking patterns and considering the effects of temperature and etchant concentration. The program has a great potential for use in the optimization of the processing parameters in industrial applications.