1 research outputs found
Ab initio vibrations in nonequilibrium nanowires
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 a
combination of density-functional theory, and nonequilibrium Green's functions.Comment: 16 pages, to appear in Progress in Nonequilibrium Green's Functions
IV (PNGF4), Eds. M. Bonitz and K. Baltzer, Glasgow, August 200