Effective Band Structure and Crack Formation Analysis in Pseudomorphic Epitaxial Growth of (InxGa1–x)2O3 Alloys: A First-Principles Study
Mohamed Abdelilah Fadla,
Myrta Grüning,
Lorenzo Stella
Abstract:Ga 2 O 3 is a promising material for power electronic applications. Alloying with In 2 O 3 is used for band gap adjustment and reduction of the lattice mismatch. In this study, we calculate the effective band structure of 160-atom (In x Ga 1−x ) 2 O 3 supercells generated using special quasi-random structures where indium atoms preferentially substitute octahedral gallium sites in β-Ga 2 O 3 . We find that the disorder has a minimal effect on the lower conduction bands and does not introduce defect states. Emp… Show more
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