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6 March 2021 Band structures and heterojunction alignment of ScAlN alloy
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Abstract
The band structure and band alignment for ScxAl1-xN /AlN heterojunctions, with Sc-content x up to 25%, are investigated via first principle density functional theory (DFT) calculations. The supercell approach is utilized to build the crystal structure of ScAlN and AlN alloys and we investigate the natural band offsets of ScxAl1-xN relative to AlN through the potential line-up method. Our calculations suggest a type-I ScAlN / GaN heterostructure with large band offsets. The implementation of ScAlN will have impacts for deep ultraviolet, power electronics, and laser devices.
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© (2021) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Hanlin Fu, Justin C. Goodrich, and Nelson Tansu "Band structures and heterojunction alignment of ScAlN alloy", Proc. SPIE 11686, Gallium Nitride Materials and Devices XVI, 1168623 (6 March 2021); https://doi.org/10.1117/12.2579138
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