论文标题
底物偏置对Hipims生长的外延膜微观结构的影响:原子模拟
Effect of substrate bias on microstructure of epitaxial film grown by HiPIMS: An atomistic simulation
论文作者
论文摘要
通过分子动力学模拟,我们探索了高功率脉冲磁控溅射(HIPIMS)和底物偏置Cu膜在Cu(111)底物上的外延生长的组合。使用完全电离的沉积通量来表示HIPIMS过程中的高电离分数。为了模仿不同的底物偏置,我们假设在低,中和高能量范围内具有平坦的能量分布的沉积通量。我们还比较了完全离子通量的结果,结果与热蒸发相比,假设完全中性通量。可以证实,与热蒸发相比,HIPIMS在低能状态下表现出稍微光滑的表面和更多的界面混合。然而,在中等能量HIPIM中,与低能HIPIM相比,界面混合略有增加,获得了原子光滑的表面。在高能量状态下,HIPIMS呈现出严重的界面混合,表面光滑,但由于表面响应而导致的生长有限。结果还表明,对于中等能量HIPIM,膜出现了较少的晶体缺陷。我们将这种行为归因于碰撞事件的重复频率。特别是高能量HIPIM遭受碰撞事件的高度重复,这不允许重建膜。虽然Hipims中的低能源没有足够的事件来克服岛屿的增长。在适度的能量时,碰撞事件以提供足够时间进行重建的方式重复,从而导致表面光滑,缺陷较少且混合有限。
We explore combination of high power impulse magnetron sputtering (HiPIMS) and substrate bias for the epitaxial growth of Cu film on Cu (111) substrate by molecular dynamics simulation. A fully ionized deposition flux was used to represent the high ionization fraction in the HiPIMS process. To mimic different substrate bias, we assumed the deposition flux with a flat energy distribution in the low, moderate and high energy ranges. We also compared the results of fully ionized flux with results assuming a completely neutral flux, in analogy with thermal evaporation. It is confirmed that in the low energy regime, HiPIMS presents a slightly smoother surface and more interface mixing compared to that of thermal evaporation. In the moderate energy HiPIMS, however, an atomically smooth surface was obtained with a slight increase in the interface mixing compared to low energy HiPIMS. In the high energy regime, HiPIMS presents severe interface mixing with a smooth surface but limited growth due to resputtering from the surface. The results also indicate that fewer crystal defects appear in the film for moderate energy HiPIMS. We attribute this behavior to the repetition frequency of collision events. In particular high energy HiPIMS suffers from high repetition of collision events which does not allow reconstruction of the film. While in the low energy HiPIMS there are not enough events to overcome island growth. At moderate energy, collision events repeat in a manner that provides enough time for reconstruction which results in a smooth surface, fewer defects and limited intermixing.