Influence of vibrations on electron transport through nanoscale contacts

Zitieren

Dateien zu dieser Ressource

Dateien Größe Format Anzeige

Zu diesem Dokument gibt es keine Dateien.

BÜRKLE, Marius, Janne K. VILJAS, Thomas J. HELLMUTH, Elke SCHEER, Florian WEIGEND, Gerd SCHÖN, Fabian PAULY, 2013. Influence of vibrations on electron transport through nanoscale contacts

@unpublished{Burkle2013Influ-26556, title={Influence of vibrations on electron transport through nanoscale contacts}, year={2013}, author={Bürkle, Marius and Viljas, Janne K. and Hellmuth, Thomas J. and Scheer, Elke and Weigend, Florian and Schön, Gerd and Pauly, Fabian} }

<rdf:RDF xmlns:dcterms="http://purl.org/dc/terms/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:bibo="http://purl.org/ontology/bibo/" xmlns:dspace="http://digital-repositories.org/ontologies/dspace/0.1.0#" xmlns:foaf="http://xmlns.com/foaf/0.1/" xmlns:void="http://rdfs.org/ns/void#" xmlns:xsd="http://www.w3.org/2001/XMLSchema#" > <rdf:Description rdf:about="https://kops.uni-konstanz.de/rdf/resource/123456789/26556"> <dc:creator>Pauly, Fabian</dc:creator> <dcterms:title>Influence of vibrations on electron transport through nanoscale contacts</dcterms:title> <dcterms:issued>2013</dcterms:issued> <foaf:homepage rdf:resource="http://localhost:8080/jspui"/> <dc:contributor>Hellmuth, Thomas J.</dc:contributor> <dc:contributor>Bürkle, Marius</dc:contributor> <bibo:uri rdf:resource="http://kops.uni-konstanz.de/handle/123456789/26556"/> <dc:language>eng</dc:language> <dcterms:available rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2014-02-25T11:05:34Z</dcterms:available> <dc:contributor>Pauly, Fabian</dc:contributor> <dc:rights>deposit-license</dc:rights> <dc:creator>Schön, Gerd</dc:creator> <dspace:isPartOfCollection rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/41"/> <dc:contributor>Schön, Gerd</dc:contributor> <dcterms:isPartOf rdf:resource="https://kops.uni-konstanz.de/rdf/resource/123456789/41"/> <dc:creator>Weigend, Florian</dc:creator> <dcterms:abstract xml:lang="eng">In this article we present a novel semi-analytical approach to calculate first-order electron-vibration coupling constants within the framework of density functional theory. It combines analytical expressions for the first-order derivative of the Kohn-Sham operator with respect to nuclear displacements with coupled-perturbed Kohn-Sham theory to determine the derivative of the electronic density matrix. This allows us to efficiently compute accurate electron-vibration coupling constants. We apply our approach to describe inelastic electron tunneling spectra of metallic and molecular junctions. A gold junction bridged by an atomic chain is used to validate the developed method, reproducing established experimental and theoretical results. For octane-dithiol and octane-diamine single-molecule junctions we discuss the influence of the anchoring group and mechanical stretching on the inelastic electron tunneling spectra.</dcterms:abstract> <dc:creator>Hellmuth, Thomas J.</dc:creator> <void:sparqlEndpoint rdf:resource="http://localhost/fuseki/dspace/sparql"/> <dc:contributor>Weigend, Florian</dc:contributor> <dc:contributor>Scheer, Elke</dc:contributor> <dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#dateTime">2014-02-25T11:05:34Z</dc:date> <dc:creator>Scheer, Elke</dc:creator> <dc:creator>Bürkle, Marius</dc:creator> <dcterms:rights rdf:resource="http://nbn-resolving.org/urn:nbn:de:bsz:352-20140905103605204-4002607-1"/> <dc:creator>Viljas, Janne K.</dc:creator> <dc:contributor>Viljas, Janne K.</dc:contributor> </rdf:Description> </rdf:RDF>

Das Dokument erscheint in:

KOPS Suche


Stöbern

Mein Benutzerkonto