Ab initio vibrations in nonequilibrium nanowires

Antti-Pekka Jauho, Mads Engelund, T Markussen, Mads Brandbyge

    Research output: Contribution to journalJournal articleResearch


    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
    Book seriesJournal of Physics: Conference Series (Print)
    Issue number1
    Pages (from-to)012010
    Publication statusPublished - 2010

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