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.
We have used first-principles calculations, based on advanced hybrid density functional theory, to accurately model diffusion of point defects and impurities in Ga2O3. Control of doping is crucial for devices: it should be possible to control the carrier concentrations all the way from semi-insulating to highly conductive n-type material. I will discuss impurities used for donor doping, deep acceptors, as well as unintentional contaminants such as carbon and hydrogen. The results provide important guidance for incorporating Ga2O3 into devices.
Monoclinic gallium oxide is a wide-gap (4.8 eV) semiconductor with a high breakdown field. To fully exploit the applications in high power electronics, high-quality epitaxial growth of gallium oxide is required. We use density functional theory calculations to explore the adsorption of Ga and In adatoms on the Ga2O3 (010) surface and the effect of In on the growth rate. We also study the co-adsorption of Al, Ga, and O adatoms on the Ga2O3 (010) surface to reveal the role of surface reconstructions and adatom diffusion in Al incorporation in (AlxGa1−x)2O3 alloys.
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