Reactive Force-Field Molecular Dynamics Study of the Silicon-Germanium Deposition Processes by Plasma Enhanced Chemical Vapor Deposition
Reactive Force-Field Molecular Dynamics Study of the Silicon-Germanium Deposition Processes by Plasma Enhanced Chemical Vapor Deposition
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DOI：
10.23919/sispad49475.2020.9241688
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发表时间：
2020-09
期刊：
影响因子：
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通讯作者：
Naoya Uene;T. Mabuchi;M. Zaitsu;Shigeo Yasuhara;T. Tokumasu
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文献类型：
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作者：
Naoya Uene;T. Mabuchi;M. Zaitsu;Shigeo Yasuhara;T. Tokumasu
为了用化学气相沉积(CVD)方法制备质量合适的SiGe薄膜，需要在原子水平上弄清材料/工艺与结构/成分之间的关系。利用反应力场分子动力学方法模拟了SiGe化学气相沉积，特别是对SiHx+GeHx二元体系进行了模拟，得到了衬底温度和气体种类比对薄膜结晶度和成分的影响。结晶度随着衬底温度的升高而增加，SiH3和SiH2的气相物种比分别为0.5和0.7时，结晶度最低。随着衬底温度的升高，氢含量降低，而Si、Ge含量趋于增加。这些趋势可以在相关研究中看到。通过这种模拟，我们成功地观察到气体物种的反应性对薄膜的结晶度和成分有很大的影响。
In order to form a SiGe thin film by chemical vapor deposition (CVD) with a suitable quality for advanced devices, the relationships between materials/process and structure/composition are needed to be clarified at the atomic level. We simulated SiGe CVD by using reactive force-field (ReaxFF) molecular dynamics simulations, especially on binary systems of SiHx + GeHx, and derived the influence of the substrate temperature and these ratios of gaseous species on the crystallinity and compositions in the thin films. The crystallinity increases as the substrate temperature increases, and the lowest crystallinity is obtained at the ratios of gaseous species 0.5 and 0.7 for the SiH3 and SiH2, respectively. As the substrate temperature increases, the hydrogen content decreases while Si and Ge content tend to increase. These trends can be seen in relevant studies. Through this simulation we successfully observe that the reactivity of gaseous species greatly affects the crystallinity and compositions in the thin films.