Show simple item record

dc.contributor.author Ke, SH
dc.contributor.author Liu, R
dc.contributor.author Yang, W
dc.contributor.author Baranger, HU
dc.coverage.spatial United States
dc.date.accessioned 2011-04-15T16:46:52Z
dc.date.issued 2010-06-21
dc.identifier http://www.ncbi.nlm.nih.gov/pubmed/20572687
dc.identifier.citation J Chem Phys, 2010, 132 (23), pp. 234105 - ?
dc.identifier.uri http://hdl.handle.net/10161/3356
dc.description.abstract We investigate transport properties of molecular junctions under two types of bias--a short time pulse or an ac bias--by combining a solution for Green's functions in the time domain with electronic structure information coming from ab initio density functional calculations. We find that the short time response depends on lead structure, bias voltage, and barrier heights both at the molecule-lead contacts and within molecules. Under a low frequency ac bias, the electron flow either tracks or leads the bias signal (resistive or capacitive response) depending on whether the junction is perfectly conducting or not. For high frequency, the current lags the bias signal due to the kinetic inductance. The transition frequency is an intrinsic property of the junctions.
dc.format.extent 234105 - ?
dc.language eng
dc.language.iso en_US en_US
dc.relation.ispartof J Chem Phys
dc.relation.isversionof 10.1063/1.3435351
dc.title Time-dependent transport through molecular junctions.
dc.type Journal Article
dc.description.version Version of Record en_US
duke.date.pubdate 2010-6-21 en_US
duke.description.endpage 234105 en_US
duke.description.issue 23 en_US
duke.description.startpage 234105 en_US
duke.description.volume 132 en_US
dc.relation.journal Journal of Chemical Physics en_US
pubs.author-url http://www.ncbi.nlm.nih.gov/pubmed/20572687
pubs.issue 23
pubs.organisational-group /Duke
pubs.organisational-group /Duke/Institutes and Provost's Academic Units
pubs.organisational-group /Duke/Institutes and Provost's Academic Units/Initiatives
pubs.organisational-group /Duke/Institutes and Provost's Academic Units/Initiatives/Energy Initiative
pubs.organisational-group /Duke/Trinity College of Arts & Sciences
pubs.organisational-group /Duke/Trinity College of Arts & Sciences/Chemistry
pubs.organisational-group /Duke/Trinity College of Arts & Sciences/Physics
pubs.publication-status Published
pubs.volume 132
dc.identifier.eissn 1089-7690

Files in this item

This item appears in the following Collection(s)

Show simple item record