Effect of Substrate Surface on Deposition of AlGaN: A Molecular Dynamics Simulation

LB Zhang and H Yan and G Zhu and S Liu and ZY Gan and ZL Zhang, CRYSTALS, 8, 279 (2018).

DOI: 10.3390/cryst8070279

The growth of AlGaN has been extensively studied, but corresponding research related to the effect of AlN substrate surface has rarely been reported in literature. In this article, the effects of AlN substrate surface on deposition of AlGaN films were investigated by molecular dynamics ( MD) simulations. ( 0001) Al-terminated and (000 (1) over bar) N-terminated AlN were considered as substrates. The quality of surface morphology and atomic scale structure of deposited AlGaN film are discussed in detail. The results show that the surface morphology and crystal quality of AlGaN film grown on ( 0001) Al-terminated AlN surface are better than for that grown on (000 (1) over bar) N-terminated AlN surface under various growing temperatures and Al/Ga injection ratios between Al and Ga. This can be attributed to the higher mobility of Al and Ga adatoms on the (0001) Al-terminated AlN surface. These findings can provide guidance for the preparation of high-quality AlGaN thin films on AlN substrate.

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