Giant bowing of the band gap and spin-orbit splitting energy in GaP1−xBix dilute bismide alloys

dc.contributor.authorBushell, Zoe L.
dc.contributor.authorBroderick, Christopher A.
dc.contributor.authorNattermann, Lukas
dc.contributor.authorJoseph, Rita
dc.contributor.authorKeddie, Joseph L.
dc.contributor.authorRorison, Judy M.
dc.contributor.authorVolz, Kerstin
dc.contributor.authorSweeney, Stephen J.
dc.contributor.funderScience Foundation Irelanden
dc.contributor.funderEngineering and Physical Sciences Research Councilen
dc.contributor.funderDeutsche Forschungsgemeinschaften
dc.contributor.funderUniversity of Surreyen
dc.contributor.funderNational Institute of Advanced Industrial Science and Technologyen
dc.date.accessioned2019-11-19T12:27:47Z
dc.date.available2019-11-19T12:27:47Z
dc.date.issued2019-05-02
dc.description.abstractUsing spectroscopic ellipsometry measurements on GaP1−xBix/GaP epitaxial layers up to x = 3.7% we observe a giant bowing of the direct band gap ($${E}_{g}^{{\rm{\Gamma }}}$$EgΓ) and valence band spin-orbit splitting energy (ΔSO). $${E}_{g}^{{\rm{\Gamma }}}$$EgΓ(ΔSO) is measured to decrease (increase) by approximately 200 meV (240 meV) with the incorporation of 1% Bi, corresponding to a greater than fourfold increase in ΔSO in going from GaP to GaP0.99Bi0.01. The evolution of $${E}_{g}^{{\rm{\Gamma }}}$$EgΓand ΔSO with x is characterised by strong, composition-dependent bowing. We demonstrate that a simple valence band-anticrossing model, parametrised directly from atomistic supercell calculations, quantitatively describes the measured evolution of $${E}_{g}^{{\rm{\Gamma }}}$$EgΓand ΔSO with x. In contrast to the well-studied GaAs1−xBix alloy, in GaP1−xBix substitutional Bi creates localised impurity states lying energetically within the GaP host matrix band gap. This leads to the emergence of an optically active band of Bi-hybridised states, accounting for the overall large bowing of $${E}_{g}^{{\rm{\Gamma }}}$$EgΓand ΔSO and in particular for the giant bowing observed for x ≲ 1%. Our analysis provides insight into the action of Bi as an isovalent impurity, and constitutes the first detailed experimental and theoretical analysis of the GaP1−xBix alloy band structure.en
dc.description.statusPeer revieweden
dc.description.versionPublished Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.articleid6835en
dc.identifier.citationBushell, Z.L., Broderick, C.A., Nattermann, L., Joseph, R., Keddie, J.L., Rorison, J.M., Volz, K. and Sweeney, S.J. (2019). 'Giant bowing of the band gap and spin-orbit splitting energy in GaP 1− x Bi x dilute bismide alloys'. Scientific reports, 9(1), 6835. (8 pp). doi:10.1038/s41598-019-43142-5en
dc.identifier.doi10.1038/s41598-019-43142-5en
dc.identifier.endpage8en
dc.identifier.issued1en
dc.identifier.journaltitleScientific Reportsen
dc.identifier.startpage1en
dc.identifier.urihttps://hdl.handle.net/10468/9099
dc.identifier.volume9en
dc.language.isoenen
dc.publisherSpringer Natureen
dc.relation.projectinfo:eu-repo/grantAgreement/RCUK/EPSRC/EP/H005587/1/GB/Efficient Photonic Devices for Near- and Mid-Infrared Applications/en
dc.relation.projectinfo:eu-repo/grantAgreement/RCUK/EPSRC/EP/N021037/1/GB/Realising a solid state photomultiplier and infrared detectors through Bismide containing semiconductors/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/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.urihttps://www.nature.com/articles/s41598-019-43142-5
dc.rights© The Author(s) 2019. This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.en
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en
dc.subjectSpectroscopic ellipsometry measurementsen
dc.subjectGiant bowingen
dc.subjectGaP1−xBixen
dc.titleGiant bowing of the band gap and spin-orbit splitting energy in GaP1−xBix dilute bismide alloysen
dc.typeArticle (peer-reviewed)en
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