低能Pt原子与Pt(111)表面相互作用的分子动力学模拟  

Investigation of low energy Pt atoms impacts on Pt(111) by molecular dynamics simulation

作　　者：张超[1] 吕海峰[1] 张庆瑜[1] 

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

出　　处：《物理学报》2002年第10期2329-2334,共6页Acta Physica Sinica

基　　金：国家自然科学基金 (批准号 :10 0 75 0 0 9);教育部重点科技项目 (批准号 :9914 8)资助课题~~

摘　　要：利用分子动力学模拟方法详细研究了低能Pt原子与Pt(111)表面的相互作用所导致的表面吸附原子、溅射原子、表面空位的产生及分布规律 ,给出了表面吸附原子产额、溅射原子产额和表面空位产额随入射Pt原子能量的变化关系 .模拟结果显示 :溅射产额、表面吸附原子产额和表面空位产额随入射原子的能量的增加而增加 ,溅射原子、表面吸附原子的分布花样呈 3度旋转对称性质 ;当入射粒子能量高于溅射阈值时 ,表面吸附原子主要是基体最表面原子的贡献 ,入射粒子直接成为表面吸附原子的概率很小 .其主要原因是 :当入射粒子能量高于溅射能量阈值时 ,入射原子穿透基体表层的概率迅速增加 ,使得入射原子直接成为表面吸附原子的概率大大降低 .此外 。We have studied the influence of low energy Pt atom impacts on Pt(111) surface by molecular dynamics simulation.Interaction potential with embedded atom method(EAM) was used in the simulation.Adatom yields,sputtering yields,and vacancy yields at various incident energies were calculated.It was found that there is a sputtering threshold energy for the incident energy.When the incident energy is higher than the sputtering threshold,the sputtering yield,adatom yield,and vacancy yield increase with the increase of incident energy,and adatoms mainly come from the first layer of the substrate.The sputtering pattern and adatom distribution present 3 fold symmetry as well.The dependence of the adatom yield,vacancy yield and sputtering yield on the incident energy and the relative atomistic mechanisms are discussed.

关 键 词：相互作用 分子动力学 低能粒子 表面原子产额 空位缺陷 溅射 薄膜制备 计算机模拟 铂原子 微观机制 

分 类 号：O485[理学—固体物理]