分子动力学模拟不同入射能量的SiF_2与SiC的相互作用  

Molecular Dynamics Simulation of Energy Dependence of SiF_2 and SiC Interaction

作　　者：赵成利[1,2] 秦尤敏[1] 吕晓丹[1] 宁建平[1] 贺平逆[1] 苟富均[3,4] 

机构地区：[1]贵州大学等离子体与材料表面作用研究所,贵阳550025 [2]贵州大学理学院,贵阳550025 [3]辐射物理及技术教育部重点实验室,成都610064 [4]荷兰皇家科学院等离子体所

出　　处：《真空科学与技术学报》2011年第3期376-380,共5页Chinese Journal of Vacuum Science and Technology

基　　金：国际热核聚变实验堆(ITER)计划专项(2009GB104006);贵州省优秀青年科技人才培养计划(700968101)资助的课题

摘　　要：采用分子动力学模拟方法研究了入射能量对SiF2与SiC样品表面相互作用的影响。本次模拟选择的入射初始能量分别为0.3,1,5,10和25 eV。模拟结果显示SiF2分解率与Si和F原子的沉积率有密切的关系。沉积的Si和F原子在SiC表面形成一层SixFy薄膜。随入射能量的增加,薄膜厚度先增加后减小,薄膜中Si-Si键密度增大。构成薄膜的主要成分SiFx（x=1-4）中主要是SiF和SiF2,随入射能量的增加,薄膜成分由SiF2向SiF转变。The impacts of the incident energy of SiF2 molecules on the SiC surface were simulated,based on molecular dynamics.The energy variations of the particle,impinging in the direction normal to the surface of the SiC films,were 0.3,1,5,10,and 25 eV.The simulated results show that the decomposition rate of SiF2 significantly affects the deposition rates of both F and Si atoms.Moreover,the deposited F and Si atoms form thin SixFy films.As the incident energy increases,the film thickness firstly increases,and then decreases with an increased density of Si-Si bond.Phase transitions between the two major phases of the SiFx（x=1～4）：SiF2 and SiF was observed.The SiF2 changed into the SiF phase with an increase of the incident energy.

关 键 词：分子动力学 分解率 沉积率 SixFy薄膜 

分 类 号：TN304.12[电子电信—物理电子学]