Accommodation at the interface of highly dissimilar GaN(0001)/Sc2O3(111) heteroepitaxial systems

作者：Liu Po Liang^*; Liao Kuo Cheng

来源：Scripta Materialia, 2013, 68(3-4): 211-214.

DOI：10.1016/j.scriptamat.2012.10.029

• GaN
• Sc2O3
• Interface
• Polarity
• First-principles calculations

We present first-principles calculations to study the heterojunction between a wurtzite GaN(0 0 0 1) film and a cubic Sc2O3(1 1 1) substrate. We report that the most favorable interface consists of the graphitic-like GaN nanofilms, indicating that the nanofilms can accommodate the misfit strain relaxation at heteroepitaxial interfaces. This interface structure gives rise to Ga polarity in the GaN(0 0 0 1) epitaxial film. Our findings agree with previously reported experimental results.

• 出版日期2013-2