Ab initio vibrations in nonequilibrium nanowires

Publication: ResearchJournal article – Annual report year: 2010

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We review recent results on electronic and thermal transport in two different quasi one-dimensional systems: Silicon nanowires (SiNW) and atomic gold chains. For SiNW's we compute the ballistic electronic and thermal transport properties on equal footing, allowing us to make quantitative predictions for the thermoelectric properties, while for the atomic gold chains we evaluate microscopically the damping of the vibrations, due to the coupling of the chain atoms to the modes in the bulk contacts. Both approaches are based on the combination of density-functional theory, and nonequilibrium Green's functions.
Original languageEnglish
JournalJournal of Physics: Conference Series (Print)
Publication date2010
Volume220
Issue1
Pages012010
ISSN1742-6588
DOIs
StatePublished
CitationsWeb of Science® Times Cited: 1
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