Interface roughness, carrier localization, and wave function overlap in c-Plane (In,Ga)N/GaN quantum wells: interplay of well width, alloy microstructure, structural inhomogeneities, and Coulomb effects

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dc.contributor.author Tanner, Daniel S. P.
dc.contributor.author McMahon, Joshua M.
dc.contributor.author Schulz, Stefan
dc.date.accessioned 2019-02-27T12:35:20Z
dc.date.available 2019-02-27T12:35:20Z
dc.date.issued 2018-09-14
dc.identifier.citation Tanner, D. S. P., McMahon, J. M. and Schulz, S. (2018) 'Interface roughness, carrier localization, and wave function overlap in c-Plane (In,Ga)N/GaN quantum wells: interplay of well width, alloy microstructure, structural inhomogeneities, and Coulomb effects', Physical Review Applied, 10(3), 034027 (19pp). doi:10.1103/PhysRevApplied.10.034027 en
dc.identifier.volume 10 en
dc.identifier.issued 3 en
dc.identifier.startpage 1 en
dc.identifier.endpage 19 en
dc.identifier.issn 2331-7019
dc.identifier.uri http://hdl.handle.net/10468/7550
dc.identifier.doi 10.1103/PhysRevApplied.10.034027
dc.description.abstract In this work, we present a detailed analysis of the interplay of Coulomb effects and different mechanisms that can lead to carrier-localization effects in c-plane (In,Ga)N/GaN quantum wells. As mechanisms for carrier localization, we consider here effects introduced by random alloy fluctuations as well as structural inhomogeneities such as well-width fluctuations. Special attention is paid to the impact of the well width on the results. All calculations have been carried out in the framework of atomistic tight-binding theory. Our theoretical investigations show that independent of the well widths studied here, carrier-localization effects due to built-in fields, well-width fluctuations, and random-alloy fluctuations dominate over Coulomb effects in terms of charge-density redistributions. However, the situation is less clear cut when the well-width fluctuations are absent. For a large well width (approximately >2.5nm), charge-density redistributions are possible, but the electronic and optical properties are basically dominated by the out-of-plane carrier separation originating from the electrostatic built-in field. The situation changes for lower well widths (<2.5nm), where the Coulomb effect can lead to significant charge-density redistributions and, thus, might compensate for a large fraction of the spatial in-plane wave-function separation observed in a single-particle picture. Given that this in-plane separation has been regarded as one of the main drivers behind the green gap problem, our calculations indicate that radiative recombination rates might significantly benefit from a reduced quantum-well-barrier-interface roughness. en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society en
dc.relation.uri https://link.aps.org/doi/10.1103/PhysRevApplied.10.034027
dc.rights © 2018, American Physical Society. All rights reserved. en
dc.subject Coulomb effects en
dc.subject Carrier-localization effects en
dc.subject c-plane (In,Ga)N/GaN quantum wells en
dc.subject Reduced quantum-well-barrier-interface roughness en
dc.title Interface roughness, carrier localization, and wave function overlap in c-Plane (In,Ga)N/GaN quantum wells: interplay of well width, alloy microstructure, structural inhomogeneities, and Coulomb effects en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Stefan Schulz, Tyndall Theory Modelling & Design Centre, University College Cork, Cork, Ireland. +353-21-490-3000 Email: stefan.schulz@tyndall.ie en
dc.internal.availability Full text available en
dc.date.updated 2019-02-27T12:20:11Z
dc.description.version Published Version en
dc.internal.rssid 475272336
dc.contributor.funder Science Foundation Ireland en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Physical Review Applied en
dc.internal.copyrightchecked Yes en
dc.internal.licenseacceptance Yes en
dc.internal.IRISemailaddress stefan.schulz@tyndall.ie en
dc.internal.IRISemailaddress joshua.mcmahon@tyndall.ie
dc.internal.IRISemailaddress daniel.tanner@tyndall.ie
dc.identifier.articleid 034027
dc.relation.project info:eu-repo/grantAgreement/SFI/SFI Starting Investigator Research Grant (SIRG)/13/SIRG/2210/IE/Shaping the electronic and optical properties of non- and semi-polar nitride-based semiconductor nanostructures/ en


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