Reactive Force-Field Molecular Dynamics Study of SiGe Thin Film Growth in Plasma Enhanced Chemical Vapor Deposition Processes
Reactive Force-Field Molecular Dynamics Study of SiGe Thin Film Growth in Plasma Enhanced Chemical Vapor Deposition Processes
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等离子体增强化学气相沉积工艺中 SiGe 薄膜生长的反应力场分子动力学研究
DOI：
10.1149/09805.0177ecst
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发表时间：
2020
期刊：
影响因子：
--
通讯作者：
and T. Tokumasu
中科院分区：
文献类型：
--
作者：
N. Uene;T. Mabuchi;M. Zaitsu;S. Yasuhara;and T. Tokumasu
氢化无定形SiGe(a-SiGe：H)和氢化微晶SiGe(μc-SiGe：H)等SiGe薄膜是一种很有潜力的材料。为了用化学气相沉积方法制备有希望的SiGe薄膜，必须在原子水平上阐明材料/工艺与结构/成分之间的关系。通过反应力场分子动力学模拟，分析了衬底温度和SiH3与GeH3的比例对SiGe薄膜结晶度和原子含量的影响。结晶度随着衬底温度的升高而增加，当SiH3与GeH3的比例约为0.5时，结晶度最低。氢含量随着衬底温度的升高而降低，而硅和锗的含量随着衬底温度的升高有增加的趋势。这些结果与相关研究结果吻合较好。
The SiGe thin films, such as hydrogenated amorphous SiGe (a-SiGe: H) and hydrogenated microcrystalline SiGe (μc-SiGe: H), are known as a potential material. In order to form promising SiGe thin films using chemical vapor deposition, relationship between materials/process and structure/composition should be clarified at the atomic level. We analyzed the influence of the substrate temperature and the ratio of SiH3 and GeH3, which are considered to be the dominant gaseous species on the deposition, on the crystallinity and atomic content in SiGe thin films by reactive forcefield molecular dynamics simulations. The crystallinity increased as the substrate temperature increased, and the lowest crystallinity was obtained when the ratio of SiH3 and GeH3 is approximately 0.5. The hydrogen content decreased as the substrate temperature increased, while silicon and germanium content tended to increase as substrate temperature increased. These results were in good agreement with relevant studies.