About: Charge-carrier-induced frequency renormalization, damping, and heating of vibrational modes in nanoscale junctions

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About: Charge-carrier-induced frequency renormalization, damping, and heating of vibrational modes in nanoscale junctions Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://dx.doi.org/10.1103/PhysRevB.88.201405
Description	In nanoscale junctions the interaction between charge carriers and the local vibrations results in renormalization, damping, and heating of the vibrational modes. Here we formulate a nonequilibrium Green's function based theory to describe such effects. Studying a generic junction model with an off-resonant electronic level, we find a strong bias dependence of the frequency renormalization and vibrational damping accompanied by pronounced nonlinear vibrational heating in junctions with intermediate values of the coupling to the leads. Combining our theory with ab initio calculations, we furthermore show that the bias dependence of the Raman shifts and linewidths observed experimentally in an oligo(3)-phenylenevinylene (OPV3) junction [Ward et al., Nat. Nanotechnol. 6, 33 (2011)] may be explained by a combination of dynamic carrier screening and molecular charging. In nanoscale junctions the interaction between charge carriers and the local vibrations results in renormalization, damping, and heating of the vibrational modes. Here we formulate a nonequilibrium Green's function based theory to describe such effects. Studying a generic junction model with an off-resonant electronic level, we find a strong bias dependence of the frequency renormalization and vibrational damping accompanied by pronounced nonlinear vibrational heating in junctions with intermediate values of the coupling to the leads. Combining our theory with ab initio calculations, we furthermore show that the bias dependence of the Raman shifts and linewidths observed experimentally in an oligo(3)-phenylenevinylene (OPV3) junction [Ward et al., Nat. Nanotechnol. 6, 33 (2011)] may be explained by a combination of dynamic carrier screening and molecular charging. (en)
Title	Charge-carrier-induced frequency renormalization, damping, and heating of vibrational modes in nanoscale junctions Charge-carrier-induced frequency renormalization, damping, and heating of vibrational modes in nanoscale junctions (en)
skos:prefLabel	Charge-carrier-induced frequency renormalization, damping, and heating of vibrational modes in nanoscale junctions Charge-carrier-induced frequency renormalization, damping, and heating of vibrational modes in nanoscale junctions (en)
skos:notation	RIV/00216208:11320/13:10173496!RIV14-GA0-11320___
http://linked.open...avai/riv/aktivita	I P
http://linked.open...avai/riv/aktivity	I, P(GAP204/12/0897)
http://linked.open...iv/cisloPeriodika	20
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Novotný, Tomáš
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Matematicko-fyzikální fakulta
http://linked.open...dnocenehoVysledku	65184
http://linked.open...ai/riv/idVysledku	RIV/00216208:11320/13:10173496
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	spectroscopy; molecular junctions (en)
http://linked.open.../riv/klicoveSlovo	spectroscopy molecular junctions
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[3554B1762291]
http://linked.open...i/riv/nazevZdroje	Physical Review B - Condensed Matter and Materials Physics
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Role of initial and open boundary conditions in the non-equilibrium dynamics of electrons in mesoscopic systems
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	88
http://linked.open...iv/tvurceVysledku	Novotný, Tomáš Kaasbjerg, Kristen Nitzan, Abraham
http://linked.open...ain/vavai/riv/wos	000327161800001
issn	1098-0121
number of pages	5 (xsd:int)
http://bibframe.org/vocab/doi	10.1103/PhysRevB.88.201405
http://localhost/t...ganizacniJednotka	11320

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