凹槽形Cu衬底上同质外延生长的分子动力学模拟

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

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1 000 K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10 eV时,能形成较理想薄膜。

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.