生长参数对氮化铟薄膜表面质量的影响

Peng Su, Junhong Pei, Jinping Luo, Guangyu Zheng, Yukang Sun, Lijun Liu
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摘要

在改进的 Stillinger-Weber 电位模型的基础上,利用分子动力学模拟了氮化铟(InN)薄膜在氮化镓(GaN)衬底上的生长过程。研究了生长条件对 InN 薄膜表面质量的影响,包括入射能量、氮化镓衬底表面的极性、衬底温度和沉积的 N:In 原子比。我们发现,入射能量高的原子具有高迁移率,能显著改善薄膜表面的突起和凹坑结构,从而提高表面质量。然而,过高的入射能量会增强沉积粒子对基底表面原子的溅射效应,破坏薄膜,从而降低密度。在最佳入射能量的基础上,分析了在 Ga 端极性表面和 N 端极性表面上 InN 薄膜生长模式的差异。在低温条件下,N 端极性表面呈现三维岛状生长模式,而 Ga 端极性表面呈现二维层状生长模式。在低温条件下,更容易在 Ga 端极性表面制备出表面质量优异的 InN 薄膜。此外,根据在不同衬底温度和原子沉积比下得到的结果,在富 In 环境中,过量的 In 原子容易在薄膜表面形成团聚岛状结构,低温衬底更容易生成表面质量高的 InN 薄膜。在富含 N 的环境中,过量的 N 原子与薄膜表面的 In 原子结合形成阶梯状的岛状结构,它们更容易在高温衬底上生长成表面质量高的 InN 薄膜。
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Effects of the growth parameters on the surface quality of InN films
On the basis of the improved Stillinger–Weber potential model, the growth process of an indium nitride (InN) film on a gallium nitride (GaN) substrate has been simulated by molecular dynamics. The effects of growth conditions, including the incident energy, polarity of the surface of the GaN substrate, substrate temperature, and deposited N:In atomic ratio, on the surface quality of the InN film have been investigated. We find that atoms with high incident energy have high mobility, which significantly improves the structures of the protrusions and pits on the surface of the film, thereby enhancing the surface quality. However, too high incident energy enhances the sputtering effect of the deposited particles on the surface atoms of the substrate and the destruction of the film, thereby reducing the density. On the basis of the optimal incident energy, the difference in the growth mode of InN films on the Ga-termination polarity surface and N-termination polarity surface is analyzed. At low temperatures, a three-dimensional island growth mode is present on the N-termination polarity surface and a two-dimensional layer growth mode is present on the Ga-termination polarity surface. It is easier to produce InN films with excellent surface quality on the Ga-termination polarity at low temperatures. Furthermore, according to the results obtained under different substrate temperatures and atomic deposition ratios, in an In-enriched environment, excessive In atoms are prone to form agglomerated island structures on the film surface, and the low-temperature substrate is more prone to produce an InN film with high surface quality. In an N-enriched environment, excessive N atoms combine with In atoms on the film surface to form a stepped island structure, and they are more prone to grow into an InN film with high surface quality on a high-temperature substrate.
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