Multi-scale theory and simulation of direct-gap group-IV semiconductor alloys

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dc.contributor.authorBroderick, Christopher A.
dc.contributor.authorO'Halloran, Edmond J.
dc.contributor.authorDunne, Michael D.
dc.contributor.authorKirwan, Amy C.
dc.contributor.authorAndreev, Aleksey D.
dc.contributor.authorSchulz, Stefan
dc.contributor.authorO'Reilly, Eoin P.
dc.contributor.funderScience Foundation Irelanden
dc.contributor.funderNational University of Irelanden
dc.date.accessioned2020-09-16T13:09:19Z
dc.date.available2020-09-16T13:09:19Z
dc.date.issued2020-07-13
dc.date.updated2020-09-16T12:58:01Z
dc.description.abstractAlloying of Ge with other group-IV elements - C, Sn or Pb - represents a promising route to realise direct-gap group-IV semiconductors for applications in Si-compatible devices, including light-emitting diodes and lasers, as well as tunnelling field-effect transistors and multi-junction solar cells. To develop a quantitative understanding of the properties and potential of group-IV alloys, we have established a multi-scale simulation framework to enable predictive analysis of their structural and electronic properties. We provide an overview of these simulation capabilities, and describe previously overlooked fundamental aspects of the electronic structure evolution and indirect- to direct-gap transition in (Si)Ge1-x(C, Sn, Pb)x alloys. We further describe ongoing work related to exploiting this simulation platform to compute the optical and transport properties of (Si)Ge1-xSnx alloys and heterostructures.en
dc.description.sponsorshipScience Foundation Ireland (project nos. 15/IA/3082 and 17/CDA/4789); National University of Ireland (NUI Post-Doctoral Fellowship in the Sciences)en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationBroderick, C. A., O’Halloran, E. J., Dunne, M. D., Kirwan, A. C., Andreev, A. D., Schulz, S. and O’Reilly, E. P. (2020) 'Multi-scale theory and simulation of direct-gap group-IV semiconductor alloys', 2020 IEEE Photonics Society Summer Topicals Meeting Series (SUM), Cabo San Lucas, Mexico, 13-15 July. doi: 10.1109/SUM48678.2020.9161038en
dc.identifier.doi10.1109/SUM48678.2020.9161038en
dc.identifier.endpage2en
dc.identifier.isbn978-1-7281-5887-7
dc.identifier.isbn978-1-7281-5888-4
dc.identifier.issn2376-8614
dc.identifier.issn1099-4742
dc.identifier.startpage1en
dc.identifier.urihttps://hdl.handle.net/10468/10532
dc.language.isoenen
dc.publisherInstitute of Electrical and Electronics Engineers (IEEE)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://ieeexplore.ieee.org/document/9161038
dc.rights© 2020 IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.en
dc.subjectElectronic structureen
dc.subjectElemental semiconductorsen
dc.subjectEnergy gapen
dc.subjectField effect transistorsen
dc.subjectGermanium alloysen
dc.subjectIII-V semiconductorsen
dc.subjectLeaden
dc.subjectLight emitting diodesen
dc.subjectSemiconductor heterojunctionsen
dc.subjectSiliconen
dc.subjectSolar cellsen
dc.subjectTinen
dc.subjectDirect-gap group-IV semiconductor alloysen
dc.subjectGroup-IV elementsen
dc.subjectSi-compatible devicesen
dc.subjectLight-emitting diodesen
dc.subjectLasersen
dc.subjectTunnelling field-effect transistorsen
dc.subjectMultiscale simulation frameworken
dc.subjectStructural propertiesen
dc.subjectElectronic propertiesen
dc.subjectMultiscale theoryen
dc.subjectMultijunction solar cellsen
dc.subjectGroup-IV alloysen
dc.subjectElectronic structure evolutionen
dc.subjectIndirect-to-direct-gap transitionen
dc.subjectOptical propertiesen
dc.subjectTransport propertiesen
dc.subjectCen
dc.subjectPben
dc.subjectSiGe1-xSnxen
dc.subjectPhotonic band gapen
dc.subjectAtom opticsen
dc.subjectTunnelingen
dc.subjectElectric potentialen
dc.subjectPhotonicsen
dc.titleMulti-scale theory and simulation of direct-gap group-IV semiconductor alloysen
dc.typeConference itemen
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