First-principles calculation of P-type alloy scattering in Si1-xGex

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dc.contributor.authorJoyce, S.
dc.contributor.authorMurphy-Armando, Felipe
dc.contributor.authorFahy, Stephen B.
dc.contributor.funderScience Foundation Irelanden
dc.date.accessioned2016-06-02T09:03:09Z
dc.date.available2016-06-02T09:03:09Z
dc.date.issued2007-04
dc.date.updated2013-02-20T12:46:20Z
dc.description.abstractThe p-type carrier scattering rate due to alloy disorder in Si1-xGex alloys is obtained from first principles. The required alloy scattering matrix elements are calculated from the energy splitting of the valence bands, which arise when one average host atom is replaced by a Ge or Si atom in supercells containing up to 128 atoms. Alloy scattering within the valence bands is found to be characterized by a single scattering parameter. The hole mobility is calculated from the scattering rate using the Boltzmann transport equation in the relaxation time approximation. The results are in good agreement with experiments on bulk, unstrained alloys..en
dc.description.statusPeer revieweden
dc.description.versionPublished Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.articleid155201
dc.identifier.citationJOYCE, S., MURPHY-ARMANDO, F. & FAHY, S. 2007. 'First-principles calculation of P-type alloy scattering in Si1-xGex'. Physical Review B, 75, 155201. doi:10.1103/PhysRevB.75.155201en
dc.identifier.doi10.1103/PhysRevB.75.155201
dc.identifier.endpage155201-5en
dc.identifier.issn2469-9950
dc.identifier.issn2469-9969
dc.identifier.journaltitlePhysical Review Ben
dc.identifier.startpage155201-1en
dc.identifier.urihttps://hdl.handle.net/10468/2669
dc.identifier.volume75en
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.relation.urihttp://link.aps.org/doi/10.1103/PhysRevB.75.155201
dc.rights©2007 The American Physical Societyen
dc.subjectElemental semiconductorsen
dc.subjectTheory of electronic transporten
dc.subjectTheory of electronic transport scattering mechanismsen
dc.subjectDisordered solidsen
dc.titleFirst-principles calculation of P-type alloy scattering in Si1-xGexen
dc.typeArticle (peer-reviewed)en
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