Au/Au(100)外延薄膜生长的计算机模拟及其微观机制研究  

INVESTIGATION OF Au/Au(100) FILM EPITAXIAL GROWTH BY KINETIC MONTE CARLO SIMULATION 

作　　者：张庆瑜[1] 马腾才[1] 潘正瑛[2] 汤家镛[2] 

机构地区：[1]大连理工大学三束材料改性国家重点实验室,大连116024 [2]复旦大学现代物理研究所基于加速器的原子及原子核物理开放实验室,上海200433

出　　处：《物理学报》2000年第2期297-305,共9页Acta Physica Sinica

基　　金：国家自然科学基金!重点项目 (批准号 :1983 5 0 3 0 )资助的课题

摘　　要：在分子动力学研究的基础上建立了气相沉积原子的沉积动力学物理模型,并根据在局域环境下的表面原子扩散模型,通过运动学MonteCarlo方法研究了Au/Au(100)外延薄膜的初期生长过程,探讨了薄膜外延生长随基体温度的变化.通过气相外延沉积的计算机模拟发现:单原子扩散过程在薄膜生长中起着极为关键的作用.当薄膜生长温度低于单原子的扩散温度时,表面原子的成核和表面岛的生长主要是由沉积原子的空间随机性和表面原子密度增加而决定的;随着薄膜生长温度的提高。Based on the investigation of molecular dynamics simulation,a deposition dynamics model of incident atom in vapor phase deposition was established.The atomistic processes of Au/Au(100) epitaxial growth in the early stage were simulated by using kinetic Monte Carlo method and adatomic diffusion model with local environment.The change of film growth mode with temperature was investigated.We revealed that the monomer diffusion plays a very important role in the film growth.At the temperature as low as that at which the monomer cannot diffuse in large scale,adatom nucleation and island formation depends on the increase of adatom density.With the increase of temperature,the film growth mode depends on the competition between in\|plane diffusion and inter\|layer diffusion of monomers.

关 键 词：金/金外延薄膜生长 计算机模拟 微观机制 

分 类 号：O484[理学—固体物理]