Show simple item record

dc.contributor.authorLi, Wu
dc.contributor.authorLindsay, Lucas
dc.contributor.authorDavid, Broido
dc.contributor.authorStewart, Derek
dc.contributor.authorMingo, Natalio
dc.date.accessioned2012-12-07T21:04:49Z
dc.date.available2012-12-07T21:04:49Z
dc.date.issued2012-11-29
dc.identifier.citationW. Li, L. Lindsay, D. A. Broido, D. A. Stewart, and N. Mingo, Phys. Rev. B, 86, 174307 (2012)en_US
dc.identifier.otherDOI:10.1103/PhysRevB.86.174307
dc.identifier.urihttps://hdl.handle.net/1813/30570
dc.description.abstractThe lattice thermal conductivity (κ) of the thermoelectric materials, Mg2Si, Mg2Sn, and their alloys, are calculated for bulk and nanowires, without adjustable parameters. We find good agreement with bulk experimental results. For large nanowire diameters, size effects are stronger for the alloy than for the pure compounds. For example, in 200 nm diameter nanowires κ is lower than its bulk value by 30%, 20%, and 20% for Mg2Si0.6Sn0.4, Mg2Si, and Mg2Sn, respectively. For nanowires less than 20 nm thick, the relative decrease surpasses 50%, and it becomes larger in the pure compounds than in the alloy. At room temperature, κ of Mg2Si_{x}Sn_{1−x} is less sensitive to nanostructuring size effects than Si_{x}Ge_{1−x}, but more sensitive than PbTe_{x}Se_{1−x}. This suggests that further improvement of Mg2Si_{x}Sn_{1−x} as a nontoxic thermoelectric may be possible.en_US
dc.language.isoen_USen_US
dc.publisherAmerican Physical Societyen_US
dc.subjectthermal conductivityen_US
dc.subjectdensity functional theoryen_US
dc.subjectthermoelectricen_US
dc.subjectalloyen_US
dc.subjectMg2Sien_US
dc.subjectMg2Snen_US
dc.subjectphononen_US
dc.subjectnanowireen_US
dc.subjectBoltzmann transport equationen_US
dc.titleThermal conductivity of bulk and nanowire Mg2Si_{x}Sn_{1-x} alloys from first principlesen_US
dc.typearticleen_US


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record

Statistics