Abstract A critical issue in solution growth of 4H–SiC crystal is to control the morphology at the growth interface. We conducted a molecular dynamics simulation of interfacial growth of SiC from Si–C solution to understand the atomic-scale growth behavior on the different growth planes of 3C–SiC, 4H–SiC and 6H–SiC. The growth rates on the basal plane were smaller than those on the other planes. To understand the growth modes on the growth planes, calculations of growth behavior on the 4H–SiC { 0 0 0 1 } , { 1 0 1 ¯ 0 } and { 1 0 1 ¯ 2 } were performed with larger cells. The growth interface of 4H–SiC { 1 0 1 ¯ 0 } and { 1 0 1 ¯ 2 } tended to become rough, whereas 4H–SiC { 0 0 0 1 } maintained a flat interface. Possible growth modes were estimated from a correlation between the growth rate and the crystal structure.

中文翻译：

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不同生长平面上 Si-C 溶液界面生长的分子动力学模拟

摘要 4H-SiC 晶体溶液生长的一个关键问题是控制生长界面的形貌。我们对 Si-C 溶液中 SiC 的界面生长进行了分子动力学模拟，以了解 3C-SiC、4H-SiC 和 6H-SiC 不同生长平面上的原子级生长行为。基面的增长率小于其他平面的增长率。为了理解生长平面上的生长模式，对 4H-SiC {0 0 0 1 } 、{ 1 0 1¯ 0 } 和 { 1 0 1 ¯ 2 } 的生长行为的计算是用更大的电池进行的。4H-SiC { 1 0 1 ¯ 0 } 和{ 1 0 1 ¯ 2 } 的生长界面趋于变得粗糙，而4H-SiC { 0 0 0 1 } 保持平坦的界面。根据生长速率和晶体结构之间的相关性估计可能的生长模式。