凹槽形Cu衬底上同质外延生长的分子动力学模拟

应用分子动力学方法模拟在刻有不同“深/宽”且截面为矩形凹槽的Cu衬底上进行同质外延生长的 过程。原子间采用嵌入原子方法(EAM)模型。模拟结果表明,凹槽的“深/宽”及沉积粒子的入射能对晶界倾角θ 和 V→/V↑ 产生影响,θ 随入射能增大而增大,V→/V↑ 随入射能增大而减小;在1000K 温度时,“深/宽”为1/2时,不能 形成较理想的薄膜,薄膜表面外延生长方向全部为竖直方向;而在“深/宽”为1/1,入射能为10eV 时,能形成较理想 薄膜。

Molecular Dynamics Simulation of Homogeneous Epitaxial Growth on Groove-Shaped Substrate of Cu

Application of molecular dynamics simulation in different engraved with "deep / wide" for the rectangular cross-section groove and the Cu substrate on the epitaxial growth process of homogeneous using embedded-atom method model among atoms(EAM).Simulation results show that the "depth/width" of the groove and deposition of particles to the incident angle θ of the grain boundary and V → / V ↑ influence,with the incident θ can be increased with the increase of it,with the incident V → / V ↑ can be decreased;When the temperature is 1 000 K,the "depth / width" is 1/2,a better film can not be formed,thin film epitaxial growth direction of the surface of all vertical.When the "depth / width" is 1/1,the incident can be formed at 10 eV better film.