Nonequilibrium transport through molecular junctions in the quantum regime
Result description
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the nonequilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green functions in the Kadanoff-Baym formalism up to a second order in the interaction coefficients. The variational determination of the transformation parameter through minimization of the thermodynamic potential allows us to calculate the electron/polaron spectral function and conductance for adiabatic to antiadiabatic phonon frequencies and weak to strong electron-phonon couplings. We investigate the qualitative impact of the quasiparticle renormalization on the inelastic electron tunneling spectroscopy signatures anddiscuss the possibility of a polaron induced negative differential conductance. In the high-voltage regime,we find that the polaron level follows the lead chemical potential to enhance resonant transport.
Keywords
theory of electronic transportscattering mechanismspolarons and electron-phonon interactionsquantum dots
The result's identifiers
Result code in IS VaVaI
Result on the web
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
Nonequilibrium transport through molecular junctions in the quantum regime
Original language description
We consider a quantum dot, affected by a local vibrational mode and contacted to macroscopic leads, in the nonequilibrium steady-state regime. We apply a variational Lang-Firsov transformation and solve the equations of motion of the Green functions in the Kadanoff-Baym formalism up to a second order in the interaction coefficients. The variational determination of the transformation parameter through minimization of the thermodynamic potential allows us to calculate the electron/polaron spectral function and conductance for adiabatic to antiadiabatic phonon frequencies and weak to strong electron-phonon couplings. We investigate the qualitative impact of the quasiparticle renormalization on the inelastic electron tunneling spectroscopy signatures anddiscuss the possibility of a polaron induced negative differential conductance. In the high-voltage regime,we find that the polaron level follows the lead chemical potential to enhance resonant transport.
Czech name
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Czech description
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Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Physical Review. B
ISSN
1098-0121
e-ISSN
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Volume of the periodical
84
Issue of the periodical within the volume
12
Country of publishing house
US - UNITED STATES
Number of pages
16
Pages from-to
"125131/1"-"125131/16"
UT code for WoS article
000298991300001
EID of the result in the Scopus database
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Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
BM - Solid-state physics and magnetism
Year of implementation
2011