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
dc.contributor.author | O'Donovan, Michael | |
dc.contributor.author | Chaudhuri, Debapriya | |
dc.contributor.author | Streckenbach, Timo | |
dc.contributor.author | Farrell, Patricio | |
dc.contributor.author | Schulz, Stefan | |
dc.contributor.author | Koprucki, Thomas | |
dc.contributor.funder | Sustainable Energy Authority of Ireland | en |
dc.contributor.funder | Science Foundation Ireland | en |
dc.contributor.funder | Deutsche Forschungsgemeinschaft | en |
dc.contributor.funder | Leibniz-Gemeinschaft | en |
dc.date.accessioned | 2021-08-11T08:53:21Z | |
dc.date.available | 2021-08-11T08:53:21Z | |
dc.date.issued | 2021-08-10 | |
dc.date.updated | 2021-08-11T08:32:04Z | |
dc.description.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. | en |
dc.description.sponsorship | Science Foundation Ireland (Nos. 17/CDA/4789; 12/RC/2276 P2); Deutsche Forschungsgemeinschaft (Germany’s Excellence Strategy EXC2046: MATH+, project AA2-15); Leibniz-Gemeinschaft (Leibniz competition 2020) | en |
dc.description.status | Peer reviewed | en |
dc.description.version | Published Version | en |
dc.format.mimetype | application/pdf | en |
dc.identifier.articleid | 065702 | en |
dc.identifier.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 | en |
dc.identifier.doi | 10.1063/5.0059014 | en |
dc.identifier.eissn | 1089-7550 | |
dc.identifier.endpage | 13 | en |
dc.identifier.issn | 0021-8979 | |
dc.identifier.issued | 6 | en |
dc.identifier.journaltitle | Journal of Applied Physics | en |
dc.identifier.startpage | 1 | en |
dc.identifier.uri | https://hdl.handle.net/10468/11713 | |
dc.identifier.volume | 130 | en |
dc.language.iso | en | en |
dc.publisher | American Institute of Physics | en |
dc.rights | © 2021, the Authors. All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). https://doi.org/10.1063/5.0059014 | en |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | en |
dc.subject | Random alloy fluctuations | en |
dc.subject | Optoelectronic devices | en |
dc.subject | (In,Ga)N | en |
dc.title | 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 | en |
dc.type | Article (peer-reviewed) | en |