载能Ni原子斜入射Pt(111)表面的分子动力学模拟

采用嵌入原子方法的原子间相互作用势,利用分子动力学模拟,详细研究不同角度入射的载能Ni原子在Pt(111)基体表面的沉积过程.结果表明,随着入射角度θ从0°增加到80°,溅射产额、表面吸附原子产额、空位产额的变化情况均可按入射角度近似地分为θ≤20°,20° < θ < 60°和θ≥60°三个区域.当θ≤20°时,载能沉积对基体表面的影响与垂直入射时的情况类似,表面吸附原子的分布较为集中,入射原子容易达到基体表面第二层及以下,对基体内部晶格产生-定的影响;在20° < θ < 60°的范围内,入射原子的注入深度有所下降,对基体内部晶格的影响减小,表面吸附原子的分布较为均匀,有利于薄膜的均匀成核与层状生长;当θ≥60°时,所有入射原子均直接被基体表面反射,表面吸附原子产额、溅射产额、表面空位产额均接近0,载能沉积作用没有体现.

Molecular Dynamics Simulation of Energetic Deposition on Pt(111) Surface with Oblique Ni Atom Bombardment

Molecular dynamics simulation with embedded atom method is used to study energetic deposition on Pt(111)surface with Ni atoms at incident angles(θ)in a range of 0°to 80°(normal to the surface).Dependence of sputtering yields.adatom yields and vacancy yields on θ can be divided into throe different regions,θ≤20°,20°< θ < 60°,and θ≥60°respectively.As θ is smaller than 20°energetic deposition is similar to that at θ=0°.While 20° < θ < 60°,depth of projectile implantation decreases with incident angle.Distribution of adatoms is uniform,which contribute to uniformity of nucleation and layer-by.1ayer growth of film.As θ≥60°. energetic deposition has no obvious effect ou surface of Pt(111)substrate.