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| 吸附在Si (001)表面二聚体相互作用的分子动力学模拟 | |
| 引用本文： | 王昶清,唐春娟,赵慧仙,贾瑜. 吸附在Si (001)表面二聚体相互作用的分子动力学模拟[J]. 河南大学学报(自然科学版), 2009, 39(6) |
| 作者姓名： | 王昶清 唐春娟 赵慧仙 贾瑜 |
| 作者单位： | 1. 洛阳理工学院,土木工程系,河南,洛阳,471023 2. 洛阳理工学院,数理部,河南,洛阳,4710233 3. 郑州大学,物理工程学院,材料物理教育部重点实验室,河南,郑州,450052 |
| 基金项目： | 国家自然科学基金资助项目，河南省科技厅项目 |
| 摘 要： | 采用Stillinger-Weber原子间相互作用势,对吸附在Si(001)表面上的二聚体之间的相互作用进行了分子动力学模拟.通过对它们之间相互作用的分子动力学模拟,发现不同的二聚体之间相互作用会形成不同类型的四聚体结构.本文给出两种通过二聚体之间的相互作用形成四聚体结构的途径.模拟还发现这样的四聚体结构在一定温度下是相当稳定的,而且它们的结合位形类似于B型台阶,有利于吸附新的原子形成外延层. |
| 关 键 词： | Stillinger-Weber势 分子动力学模拟 二聚体 Si(001)表面 四聚体 扩散 |
Interactions between Si Ad-dimers on Si(001):A Molecular Dynamic Study |
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| WANG Chang-qing,TANG Chun-juan,ZHAO Hui-xian,JIA Yu. Interactions between Si Ad-dimers on Si(001):A Molecular Dynamic Study[J]. Journal of Henan University(Natural Science), 2009, 39(6) | |
| Authors: | WANG Chang-qing TANG Chun-juan ZHAO Hui-xian JIA Yu |
| Abstract: | Interactions between Si ad-dimers on Si(001) have been studied by molecular dynamics simulations using the Stillinger-Weber potential. The interactions determine the formation of clusters from diffusing dimers. We have shown two pathways for the formation of multiple-dimer clusters and proposed two tetramers (TAA and TBB) formation by two diffusing dimers interacting. These tetramer structures have been found to be energetically stable with respect to isolated ad-dimers. Moreover, their local bonding configuration is very similar to the B-type step edge which is known to be the favoured adsorption site for epitaxial growth. The proposed tetramers may play a crucial role as the nucleus of the new epitaxial layer on Si (001). |
| Keywords: | Stillinger-Weber potential molecular dynamics dimer Si (001) tetramer diffusion |
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