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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

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

  • Czech description

Classification

  • Type

    Jimp - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Result continuities

  • Project

  • 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

  • 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

  • UT code for WoS article

    000460008000002

  • EID of the result in the Scopus database

    2-s2.0-85047330783

Basic information

Result type

Jimp - Article in a specialist periodical, which is included in the Web of Science database

Jimp

OECD FORD

Condensed matter physics (including formerly solid state physics, supercond.)

Year of implementation

2018