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首页> 外文期刊>Japanese journal of applied physics >Theoretical investigations on the growth mode of GaN thin films on an AIN(0001) substrate
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Theoretical investigations on the growth mode of GaN thin films on an AIN(0001) substrate

机译：AIN（0001）衬底上GaN薄膜生长模式的理论研究

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The growth modes of GaN thin films on an AlN(0001) substrate are systematically investigated using our macroscopic theory with the aid of empirical interatomic potential and ab initio calculations. Using empirical interatomic potential calculations, we demonstrate that a GaN/ AlN(0001) system with misfit dislocation (MD) is stabilized compared with a coherently grown system when the GaN film thickness exceeds six monolayers. According to the calculated results including the surface energy of GaN, the macroscopic free energy calculations for the growth mode imply that the growth of GaN on AlN(0001) proceeds along the lower-energy path from two-dimensional coherent (2D-coherent) to 2D-MD under Ga-rich conditions but from 2D-coherent to three-dimensional coherent with truncated hexagonal pyramid islands consisting of {1013} facets under N-rich conditions owing to surface energy anisotropy, which depends strongly on the growth conditions. These results suggest that surface energy anisotropy is crucial for the growth of GaN on an AlN(0001) substrate. (C) 2019 The Japan Society of Applied Physics
机译：利用我们的宏观理论，借助于经验原子间势和从头算，系统地研究了AlN（0001）衬底上GaN薄膜的生长模式。使用经验性原子间电势计算，我们证明当GaN膜厚度超过六个单层时，与相干生长的系统相比，具有错配位错（MD）的GaN / AlN（0001）系统是稳定的。根据包括GaN表面能在内的计算结果，生长模式的宏观自由能计算表明，AlN（0001）上GaN的生长沿着二维相干（2D相干）到二维相干的低能路径进行。 2D-MD在富含Ga的条件下，但由于表面能各向异性而从2D相干到三维相干，并由在富N条件下由{1013}面组成的截短的六边形金字塔形岛构成，这主要取决于生长条件。这些结果表明，表面能各向异性对于AlN（0001）衬底上GaN的生长至关重要。 （C）2019日本应用物理学会

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