Impact of disorder on the optoelectronic properties of GaNyAs1−x−yBix alloys and heterostructures

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dc.contributor.authorUsman, Muhammad
dc.contributor.authorBroderick, Christopher A.
dc.contributor.authorO'Reilly, Eoin P.
dc.contributor.funderEuropean Commissionen
dc.contributor.funderScience Foundation Irelanden
dc.contributor.funderEngineering and Physical Sciences Research Council, UKen
dc.date.accessioned2019-09-09T11:59:14Z
dc.date.available2019-09-09T11:59:14Z
dc.date.issued2018-10-09
dc.description.abstractWe perform a systematic theoretical analysis of the nature and importance of alloy disorder effects on the electronic and optical properties of GaNyAs1−x−yBix alloys and quantum wells (QWs), using large-scale atomistic supercell electronic structure calculations based on the tight-binding method. Using ordered alloy supercell calculations, we also derive and parametrize an extended-basis 14-band k·p Hamiltonian for GaNyAs1−x−yBix. Comparison of the results of these models highlights the role played by short-range alloy disorder—associated with substitutional nitrogen (N) and bismuth (Bi) incorporation—in determining the details of the electronic and optical properties. Systematic analysis of large alloy supercells reveals that the respective impacts of N and Bi on the band structure remain largely independent, a robust conclusion that we find to be valid even in the presence of significant alloy disorder where N and Bi atoms share common Ga nearest neighbors. Our calculations reveal that N- (Bi-)related alloy disorder strongly influences the conduction- (valence-)band edge states, leading in QWs to strong carrier localization, as well as inhomogeneous broadening and modification of the conventional selection rules for optical transitions. Our analysis provides detailed insight into key properties and trends in this unusual material system, and enables quantitative evaluation of the potential of GaNyAs1−x−yBix alloys for applications in photonic and photovoltaic devices.en
dc.description.statusPeer revieweden
dc.description.versionPublished Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.articleid044024en
dc.identifier.doi10.1103/PhysRevApplied.10.044024en
dc.identifier.eissn2331-7019
dc.identifier.endpage17en
dc.identifier.issued4en
dc.identifier.journaltitlePhysical Review Applieden
dc.identifier.startpage1en
dc.identifier.urihttps://hdl.handle.net/10468/8488
dc.identifier.volume10en
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.relation.projectinfo:eu-repo/grantAgreement/SFI/SFI Investigator Programme/15/IA/3082/IE/Multiscale Simulation and Analysis of emerging Group IV and III-V Semiconductor Materials and Devices/en
dc.relation.projectinfo:eu-repo/grantAgreement/RCUK/EPSRC/EP/K029665/1/GB/Energy and the Physical Sciences: Semiconductor III-V Quantum-Dot Solar Cells on Silicon Substrates/en
dc.relation.projectinfo:eu-repo/grantAgreement/EC/FP7::SP1::ICT/257974/EU/BIsmide And Nitride Components for High temperature Operation/BIANCHOen
dc.relation.urihttps://link.aps.org/doi/10.1103/PhysRevApplied.10.044024
dc.rights© 2018 American Physical Societyen
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en
dc.subjectOptoelectronicsen
dc.subjectGaNyAs1−x−yBixen
dc.subjectTight-binding methoden
dc.subjectQuantum wellsen
dc.subjectAlloysen
dc.titleImpact of disorder on the optoelectronic properties of GaNyAs1−x−yBix alloys and heterostructuresen
dc.typeArticle (peer-reviewed)en
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