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Role of light and heavy embedded nanoparticles on the thermal conductivity of SiGe alloys

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dc.contributor.authorKundu, Anupam
dc.contributor.authorMingo, Natalio
dc.contributor.authorBroido, David
dc.contributor.authorStewart, Derek
dc.date.accessioned2011-09-13T20:17:58Z
dc.date.available2011-09-13T20:17:58Z
dc.date.issued2011-09-09
dc.description.abstractWe have used an atomistic ab initio approach with no adjustable parameters to compute the lattice thermal conductivity of Si0.5Ge0.5 with a low concentration of embedded Si or Ge nanoparticles of diameters up to 4.4 nm. Through exact Green's function calculation of the nanoparticle scattering rates, we find that embedding Ge nanoparticles in Si0.5Ge0.5 provides 20% lower thermal conductivities than embedding Si nanoparticles. This contrasts with the Born approximation, which predicts an equal amount of reduction for the two cases, irrespective of the sign of the mass difference. Despite these differences, we find that the Born approximation still performs remarkably well, and it permits investigation of larger nanoparticle sizes, up to 60 nm, not feasible with the exact approach.en_US
dc.identifier.citationA. Kundu, N. Mingo, D. A. Broido, D. A. Stewart, Phys. Rev. B, 84, 125426 (2011)en_US
dc.identifier.otherDOI:10.1103/PhysRevB.84.125426
dc.identifier.urihttps://hdl.handle.net/1813/23577
dc.language.isoen_USen_US
dc.publisherAmerican Physical Societyen_US
dc.subjectSiGe alloyen_US
dc.subjectthermal conductivityen_US
dc.subjectheat transferen_US
dc.subjectnanoparticleen_US
dc.subjectdensity functional theoryen_US
dc.subjectthermoelectricen_US
dc.subjectBorn approximationen_US
dc.subjectGreen's functionen_US
dc.titleRole of light and heavy embedded nanoparticles on the thermal conductivity of SiGe alloysen_US
dc.typearticleen_US

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