First principles calculation of electron-phonon and alloy scattering in strained SiGe

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dc.contributor.authorMurphy-Armando, Felipe
dc.contributor.authorFahy, Stephen B.
dc.contributor.funderScience Foundation Irelanden
dc.date.accessioned2016-06-02T13:51:33Z
dc.date.available2016-06-02T13:51:33Z
dc.date.issued2011-12-11
dc.date.updated2013-02-20T12:18:29Z
dc.description.abstractFirst-principles electronic structure methods are used to predict the mobility of n-type carrier scattering in strained SiGe. We consider the effects of strain on the electron-phonon deformation potentials and the alloy scattering parameters. We calculate the electron-phonon matrix elements and fit them up to second order in strain. We find, as expected, that the main effect of strain on mobility comes from the breaking of the degeneracy of the six Δ and L valleys, and the choice of transport direction. The non-linear effects on the electron-phonon coupling of the Δ valley due to shear strain are found to reduce the mobility of Si-like SiGe by 50% per % strain. We find increases in mobility between 2 and 11 times that of unstrained SiGe for certain fixed Ge compositions, which should enhance the thermoelectric figure of merit in the same order, and could be important for piezoresistive applications.en
dc.description.statusPeer revieweden
dc.description.versionPublished Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.articleid123706
dc.identifier.citationMURPHY-ARMANDO, F. & FAHY, S. B. 2011. First principles calculation of electron-phonon and alloy scattering in strained SiGe. Journal of Applied Physics, 110, 123706. doi:10.1063/1.3669446en
dc.identifier.doi10.1063/1.3669446
dc.identifier.endpage123706-7en
dc.identifier.issn0021-8979
dc.identifier.issn1089-7550
dc.identifier.issued12en
dc.identifier.journaltitleJournal of Applied Physicsen
dc.identifier.startpage123706-1en
dc.identifier.urihttps://hdl.handle.net/10468/2677
dc.identifier.volume110en
dc.language.isoenen
dc.publisherAmerican Institute of Physics Publishingen
dc.relation.urihttp://scitation.aip.org/content/aip/journal/jap/110/12/10.1063/1.3669446
dc.rights© 2011, AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. The following article appeared in Journal of Applied Physics, Vol 110: 12, 123706. (2011) and may be found at http://scitation.aip.org/content/aip/journal/jap/110/12/10.1063/1.3669446en
dc.subjectElectron mobilityen
dc.subjectShear deformationen
dc.subjectElectron-phonon interactionsen
dc.subjectPoint defect scatteringen
dc.subjectConduction bandsen
dc.subjectAb initio calculationsen
dc.subjectSemiconductor materialsen
dc.subjectGe-Si alloysen
dc.subjectSeebeck effecten
dc.titleFirst principles calculation of electron-phonon and alloy scattering in strained SiGeen
dc.typeArticle (peer-reviewed)en
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