First-principles investigation of the alloy scattering potential in dilute Si1-xCx

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dc.contributor.authorVaughan, Martin P.
dc.contributor.authorMurphy-Armando, Felipe
dc.contributor.authorFahy, Stephen B.
dc.contributor.funderScience Foundation Irelanden
dc.date.accessioned2016-06-02T13:37:49Z
dc.date.available2016-06-02T13:37:49Z
dc.date.issued2012-04-23
dc.date.updated2013-02-20T12:08:37Z
dc.description.abstractA first-principles method is applied to find the intra and intervalley n-type carrier scattering rates for substitutional carbon in silicon. The method builds on a previously developed first-principles approach with the introduction of an interpolation technique to determine the intravalley scattering rates. Intravalley scattering is found to be the dominant alloy scattering process in Si1-xCx, followed by g-type intervalley scattering. Mobility calculations show that alloy scattering due to substitutional C alone cannot account for the experimentally observed degradation of the mobility. We show that the incorporation of additional charged impurity scattering due to electrically active interstitial C complexes models this residual resistivity well.en
dc.description.statusPeer revieweden
dc.description.versionPublished Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.articleid165209
dc.identifier.citationVAUGHAN, M. P., MURPHY-ARMANDO, F. & FAHY, S. 2012. 'First-principles investigation of the alloy scattering potential in dilute Si1-xCx'. Physical Review B, 85, 165209. doi:10.1103/PhysRevB.85.165209en
dc.identifier.doi10.1103/PhysRevB.85.165209
dc.identifier.endpage165209-10en
dc.identifier.issn2469-9969
dc.identifier.issn2469-9950
dc.identifier.journaltitlePhysical Review Ben
dc.identifier.startpage165209-1en
dc.identifier.urihttps://hdl.handle.net/10468/2676
dc.identifier.volume85en
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.relation.urihttp://link.aps.org/doi/10.1103/PhysRevB.85.165209
dc.rights©2012 American Physical Societyen
dc.subjectSI1-YCYen
dc.subjectSubstitutional-carbon pairen
dc.subjectQuasi-Newton methodsen
dc.subjectInterstitial carbonen
dc.subjectPressure coefficientsen
dc.subjectBand-gapsen
dc.subjectSiliconen
dc.subjectResistivityen
dc.subjectTransporten
dc.subjectDefectsen
dc.titleFirst-principles investigation of the alloy scattering potential in dilute Si1-xCxen
dc.title.alternativeFirst-principles investigation of the alloy scattering potential in dilute Si(1-x)C(x)en
dc.typeArticle (peer-reviewed)en
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