First-principles calculation of carrier-phonon scattering in n-type Si1−xGex alloys

Simple item page
dc.contributor.authorMurphy-Armando, Felipe
dc.contributor.authorFahy, Stephen B.
dc.contributor.funderScience Foundation Irelanden
dc.date.accessioned2016-06-02T09:14:05Z
dc.date.available2016-06-02T09:14:05Z
dc.date.issued2008-07
dc.date.updated2013-02-20T12:41:24Z
dc.description.abstractFirst-principles electronic structure methods are used to find the rates of inelastic intravalley and intervalley n-type carrier scattering in Si1-xGex alloys. Scattering parameters for all relevant Delta and L intra- and intervalley scattering are calculated. The short-wavelength acoustic and the optical phonon modes in the alloy are computed using the random mass approximation, with interatomic forces calculated in the virtual crystal approximation using density functional perturbation theory. Optical phonon and intervalley scattering matrix elements are calculated from these modes of the disordered alloy. It is found that alloy disorder has only a small effect on the overall inelastic intervalley scattering rate at room temperature. Intravalley acoustic scattering rates are calculated within the deformation potential approximation. The acoustic deformation potentials are found directly and the range of validity of the deformation potential approximation verified in long-wavelength frozen phonon calculations. Details of the calculation of elastic alloy scattering rates presented in an earlier paper are also given. Elastic alloy disorder scattering is found to dominate over inelastic scattering, except for almost pure silicon (x approximate to 0) or almost pure germanium (x approximate to 1), where acoustic phonon scattering is predominant. The n-type carrier mobility, calculated from the total (elastic plus inelastic) scattering rate, using the Boltzmann transport equation in the relaxation time approximation, is in excellent agreement with experiments on bulk, unstrained alloys..en
dc.description.statusPeer revieweden
dc.description.versionPublished Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.articleid035202
dc.identifier.citationMURPHY-ARMANDO, F. & FAHY, S. B. 2008. 'First-principles calculation of carrier-phonon scattering in n-type Si1−xGex alloys'. Physical Review B, 78, 035202. doi:10.1103/PhysRevB.78.035202en
dc.identifier.doi10.1103/PhysRevB.78.035202
dc.identifier.endpage35202-14en
dc.identifier.issn2469-9969
dc.identifier.issn2469-9950
dc.identifier.journaltitlePhysical Review Ben
dc.identifier.startpage35202-1en
dc.identifier.urihttps://hdl.handle.net/10468/2673
dc.identifier.volume78en
dc.language.isoenen
dc.publisherAmerican Physical Societyen
dc.relation.urihttp://link.aps.org/doi/10.1103/PhysRevB.78.035202
dc.rights©2008 The American Physical Societyen
dc.subjectElemental semiconductorsen
dc.subjectTheory of electronic transport scattering mechanismsen
dc.subjectTheory of electronic transporten
dc.subjectDisordered solidsen
dc.titleFirst-principles calculation of carrier-phonon scattering in n-type Si1−xGex alloysen
dc.typeArticle (peer-reviewed)en
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
PhysRevB_78_035202.pdf
Size:
331.43 KB
Format:
Adobe Portable Document Format
Description:
Published Version
Download
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
2.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Tyndall National Institute - Journal Articles
Physics - Journal Articles