First-principles calculation of alloy scattering in GexSi1-x

Show simple item record Murphy-Armando, Felipe Fahy, Stephen B. 2016-06-03T08:59:36Z 2016-06-03T08:59:36Z 2006-09
dc.identifier.citation Murphy-Armando, F. and Fahy, S. B. (2006) 'First-principles calculation of alloy scattering in GexSi1-x'. Physical Review Letters, 97 (9), 096606. doi:10.1103/PhysRevLett.97.096606 en
dc.identifier.volume 97 en
dc.identifier.issued 9 en
dc.identifier.startpage 096606-1 en
dc.identifier.endpage 096606-4 en
dc.identifier.issn 0031-9007
dc.identifier.issn 1079-7114
dc.identifier.doi 10.1103/PhysRevLett.97.096606
dc.description.abstract First-principles electronic structure methods are used to find the rates of intravalley and intervalley n-type carrier scattering due to alloy disorder in Si1-xGex alloys. The required alloy scattering matrix elements are calculated from the energy splitting of nearly degenerate Bloch states which arises when one average host atom is replaced by a Ge or Si atom in supercells containing up to 128 atoms. Scattering parameters for all relevant Delta and L intravalley and intervalley alloy scattering are calculated. Atomic relaxation is found to have a substantial effect on the scattering parameters. f-type intervalley scattering between Delta valleys is found to be comparable to other scattering channels. The n-type carrier mobility, calculated from the scattering rate using the Boltzmann transport equation in the relaxation time approximation, is in excellent agreement with experiments on bulk, unstrained alloys. en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society en
dc.rights © 2006 The American Physical Society en
dc.subject SixGe1-x alloys en
dc.subject Electron theory en
dc.subject Mobility en
dc.subject Pseudopotentials en
dc.subject Semiconductors en
dc.subject Transport en
dc.subject Systems en
dc.subject Devices en
dc.subject Model en
dc.subject Si en
dc.title First-principles calculation of alloy scattering in GexSi1-x en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Felipe Murphy-Armando, Tyndall Theory Modelling & Design Centre, University College Cork, Cork, Ireland. +353-21-490-3000 Email: en
dc.internal.availability Full text available en 2013-02-20T12:47:25Z
dc.description.version Published Version en
dc.internal.rssid 20865755
dc.description.status Peer reviewed en
dc.identifier.journaltitle Physical Review Letters en
dc.internal.copyrightchecked No en
dc.internal.licenseacceptance Yes en
dc.identifier.articleid 096606

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