Monoclinic gallium oxide is a wide-bandgap (4.8 eV) semiconductor with a high breakdown field. To fully exploit the application in high power electronics, it is important to understand how the growth of gallium oxide affect the formation of planar defects. We use density functional theory calculations to explore the energetics and electronic structures of the planar defects including twin boundaries on the (001), (100), and (-102) planes and staking faults on the (001), (100), and (010) planes. We will also discuss the formation mechanism and how the choice of the growth surface can affect the formation of these planar defects.
Work performed in collaboration with Sai Mu and Chris G. Van de Walle and supported by AFOSR.
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