物理学报Issue(16)：1-6,6.DOI:10.7498/aps.62.165203
分子动力学模拟H原子与Si的表面相互作用*
Molecular dynamics study of interaction between the H atoms and Si surface*
摘要
Abstract
In this paper, molecular dynamics simulation is used to study the interactions between H atoms and the crystalline Si surface when H atoms bombard the Si surface in different incident energies. The results show that the adsorption rate of H atoms first increases and then reaches an equilibrium value with the increase of incident energy, which is consistent with the experimental results. The results also reveal that the H atoms are deposited on the Si surface, forming hydrogenated amorphous silicon film. The etching products (H2, SiH2, SiH3 and SiH4) influence the adsorption rate of H atoms, and determine the surface roughness of the hydrogenated amorphous silicon film. The surface roughness reaches a minimal value when the incident energy is 1 eV. However, both the yield and the distribution of the composition (SiH, SiH2, SiH3) in the hydrogenated amorphous silicon film change with the increase of incident energy.关键词
分子动力学/吸附率/表面粗糙度/氢化非晶硅薄膜Key words
molecular dynamics/adsorption rate/hydrogenated amorphous silicon film/roughness引用本文复制引用
柯川,赵成利,苟富均,赵勇..分子动力学模拟H原子与Si的表面相互作用*[J].物理学报,2013,(16):1-6,6.基金项目
国际热核聚变实验堆(ITER)计划专项(批准号:2009GB104006)和贵州省优秀青年科技人才培养计划(批准号:700968101)资助的课题.*Project supported by International Thermonuclear Experimental Reactor (ITER) Program (Grant No.2009GB104006) and the Outstanding Young Scientific and Technological Personnel Training Program of Guizhou Province, China (Grant No.700968101) （ITER）
