Ab initio vibrations in nonequilibrium nanowires

Antti-Pekka Jauho, M. Engelund, T. Markussen, M. Brandbyge

Research output: Contribution to journalArticleScientificpeer-review

2 Citations (Scopus)

Abstract

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
Article number012010
JournalJournal of Physics: Conference Series
Volume220
Issue number1
DOIs
Publication statusPublished - 2010
MoE publication typeA1 Journal article-refereed

Fingerprint Dive into the research topics of 'Ab initio vibrations in nonequilibrium nanowires'. Together they form a unique fingerprint.

Cite this