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    From atomistic tight-binding theory to macroscale drift–diffusion: Multiscale modeling and numerical simulation of uni-polar charge transport in (In,Ga)N devices with random fluctuations
    (Melville, NY : American Inst. of Physics, 2021) O’Donovan, Michael; Chaudhuri, Debapriya; Streckenbach, Timo; Farrell, Patricio; Schulz, Stefan; Koprucki, Thomas
    Random alloy fluctuations significantly affect the electronic, optical, and transport properties of (In,Ga)N-based optoelectronic devices. Transport calculations accounting for alloy fluctuations currently use a combination of modified continuum-based models, which neglect to a large extent atomistic effects. In this work, we present a model that bridges the gap between atomistic theory and macroscopic transport models. To do so, we combine atomistic tight-binding theory and continuum-based drift–diffusion solvers, where quantum corrections are included via the localization landscape method. We outline the ingredients of this framework in detail and present first results for uni-polar electron transport in single and multi- (In,Ga)N quantum well systems. Overall, our results reveal that both random alloy fluctuations and quantum corrections significantly affect the current–voltage characteristics of uni-polar electron transport in such devices. However, our investigations indicate that the importance of quantum corrections and random alloy fluctuations can be different for single and multi-quantum well systems.
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    Selective area growth of AlGaN nanopyramid arrays on graphene by metal-organic vapor phase epitaxy
    (Melville, NY : American Inst. of Physics, 2018) Munshi, A. Mazid; Kim, Dong-Chul; Heimdal, Carl Philip; Heilmann, Martin; Christiansen, Silke H.; Vullum, Per Erik; van Helvoort, Antonius T. J.; Weman, Helge
    Wide-bandgap group III-nitride semiconductors are of special interest for applications in ultraviolet light emitting diodes, photodetectors, and lasers. However, epitaxial growth of high-quality III-nitride semiconductors on conventional single-crystalline substrates is challenging due to the lattice mismatch and differences in the thermal expansion coefficients. Recently, it has been shown that graphene, a two-dimensional material, can be used as a substrate for growing high-quality III-V semiconductors via quasi-van der Waals epitaxy and overcome the named challenges. Here, we report selective area growth of AlGaN nanopyramids on hole mask patterned single-layer graphene using metal-organic vapor phase epitaxy. The nanopyramid bases have a hexagonal shape with a very high nucleation yield. After subsequent AlGaN/GaN/AlGaN overgrowth on the six {10 (1) over bar1} semi-polar side facets of the nanopyramids, intense room-temperature cathodoluminescence emission is observed at 365 nm with whispering gallery-like modes. This work opens up a route for achieving III-nitride opto-electronic devices on graphene substrates in the ultraviolet region for future applications.