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
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Published Version
Date
2021-08-10
Authors
O'Donovan, Michael
Chaudhuri, Debapriya
Streckenbach, Timo
Farrell, Patricio
Schulz, Stefan
Koprucki, Thomas
Journal Title
Journal ISSN
Volume Title
Publisher
American Institute of Physics
Published Version
Abstract
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 multiquantum well systems.
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Keywords
Random alloy fluctuations , Optoelectronic devices , (In,Ga)N
Citation
O'Donovan, M., Chaudhuri, D., Streckenbach, T., Farrell, P., Schulz, S. and Koprucki, T. (2021) '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', Journal of Applied Physics, 130(6), 065702 (13pp). doi: 10.1063/5.0059014