3D ES势垒对Cu(111)和Cu(001)晶面同质外延生长的影响（英文）

Effects of Three-dimensional Ehrlich-Schwoebel Barriers on Cu(111) and Cu(100) Homoepitaxial Growth

三维3D ES势垒直接影响着层间扩散,在Cu(111)和Cu(100)面2D ES势垒和3D ES势垒是不同的。本文主要研究了基于(1+1)维KMC模型,在这两个特殊的晶面上Cu薄膜的同质外延生长。观察两个面的生长情况,发现随着温度的增加薄膜的粗糙度逐渐减小,由于Cu(111)表面2D ES势垒较小,所以Cu(111)面粗糙度的下降的速度比Cu(100)要快,Cu(111)表面更有利于薄膜的生长。对于纳米棒的应用,在生长时间较短时两个面的生长速率逐渐减小,但是Cu(100)面的生长速度比Cu(111)面更快,随着生长时间的增加,这两个面会出现多层台阶,Cu(111)面的生长速度会逐渐增加,最终会超过了Cu(100)面。多层台阶出现后对两个面的影响是不同的。由于Cu(111)表面3D ES势垒较大,在Cu(111)表面会形成较多的多层台阶,Cu(111)面上多层台阶数有利于纳米棒的生长,然而在Cu(100)表面3D ES势垒较小,Cu(100)表面很难形成多层台阶,所以Cu(100)面上纳米棒的生长速度并没有增加。正是因为3D ES势垒的存在才会导致多层台阶的出现,较大的3D ES势垒有利于纳米棒的生长。

The 3-dimensional Ehrlich-Schwoebel（3D ES）barriers directly affect the interlayer diffusion,and the 2D ES barrier and the 3D ES barrier are different on the Cu（111） and Cu（100） surface respectively.Based on（1＋1） dimensional KMC method,we mainly focused on the homogeneous epitaxial growth of Cu films on these two special crystal surfaces in this paper.And we found that the roughness of the film decreases with the increase of temperature.The roughness on Cu（111） surface drops faster than that on Cu（100） surface,and Cu（111） surface is more conducive to the growth of film due to lower 2D ES barrier.For the application of nanorods,the growth rate declines gradually when the growth time is short,but the growth rate of Cu（100） surface is faster than that on Cu（111） surface.However,with the growth time increasing,the effects on these two surfaces are different in appearance of multi-layer steps.The growth rate of Cu（111） surface rises and eventually exceeds the Cu（100） surface.The multi-layer steps formed on Cu（111） surface is more favorable for the growth of nanorods because of the larger 3D ES barrier while the multi-layer steps are hard to form on Cu（100） surface and the growth rate of nanorods does not increase due to the lower 3D ES barrier.The existence of 3D ES barrier leads to the emergence of multi-layer steps and the larger 3D ES barrier is conducive to the growth of nanorods.