Journal article ยท Preprint article
Ab initio vibrations in nonequilibrium nanowires
Department of Micro- and Nanotechnology, Technical University of Denmark1
Technical University of Denmark2
Theoretical Nanoelectronics Group, Theory Section, Department of Micro- and Nanotechnology, Technical University of Denmark3
Theory Section, Department of Micro- and Nanotechnology, Technical University of Denmark4
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.
Language: | English |
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Publisher: | IOP Publishing |
Year: | 2010 |
Pages: | 012010 |
ISSN: | 17426596 and 17426588 |
Types: | Journal article and Preprint article |
DOI: | 10.1088/1742-6596/220/1/012010 |
ORCIDs: | Jauho, Antti-Pekka and Brandbyge, Mads |