Generalized master equation for a molecular bridge improved by vertex correction to the generalized Kadanoff-Baym Ansatz
Result description
The equations for the Non-Equilibrium Green’s Functions (NEGF) describing the electron transport through molecular bridges are commonly reduced to a Generalized Master Equation (GME) for the one-electron density matrix using the Generalized Kadanoff-Baym Ansatz (GKBA). This works for weak tunneling and flat tunneling functions combined. For a structure, whose tunneling functions have a complex sd spectral structure, and are moderately strong, we derive an improved GME using a novel “corrected GKBA” incorporating a stationary approximation to the vertex part of the exact reconstruction equations whose free term is the standard GKBA. Numerical tests are successful.
Keywords
molecular bridgenonequilibrium Green's function'svertex correction
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
Generalized master equation for a molecular bridge improved by vertex correction to the generalized Kadanoff-Baym Ansatz
Original language description
The equations for the Non-Equilibrium Green’s Functions (NEGF) describing the electron transport through molecular bridges are commonly reduced to a Generalized Master Equation (GME) for the one-electron density matrix using the Generalized Kadanoff-Baym Ansatz (GKBA). This works for weak tunneling and flat tunneling functions combined. For a structure, whose tunneling functions have a complex sd spectral structure, and are moderately strong, we derive an improved GME using a novel “corrected GKBA” incorporating a stationary approximation to the vertex part of the exact reconstruction equations whose free term is the standard GKBA. Numerical tests are successful.
Czech name
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Czech description
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Classification
Type
Jimp - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2018
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Europhysics Letters
ISSN
0295-5075
e-ISSN
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Volume of the periodical
121
Issue of the periodical within the volume
6
Country of publishing house
FR - FRANCE
Number of pages
6
Pages from-to
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UT code for WoS article
000460008000002
EID of the result in the Scopus database
2-s2.0-85047330783
Result type
Jimp - Article in a specialist periodical, which is included in the Web of Science database
OECD FORD
Condensed matter physics (including formerly solid state physics, supercond.)
Year of implementation
2018