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標題: Accommodation at the interface of highly dissimilar GaN(0 0 0 1)/Sc2O3(1 1 1) heteroepitaxial systems
關鍵字: GaN;Sc2O3;Interface;Polarity;First-principles calculations
Project: Scripta Materialia, Volume 68, Issues 3–4, Page(s) 211-214.
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.
DOI: 10.1016/j.scriptamat.2012.10.029
Appears in Collections:精密工程研究所

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