Super-fermion representation of quantum kinetic equations for the electron transport problem

Dzhioev, Alan A., and Kosov, D.S. (2011) Super-fermion representation of quantum kinetic equations for the electron transport problem. Journal of Chemical Physics, 134. 044121. pp. 1-13.

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Abstract

We discuss the use of super-fermion formalism to represent and solve quantum kinetic equations for the electron transport problem. Starting with the Lindblad master equation for the molecule connected to two metal electrodes, we convert the problem of finding the nonequilibrium steady state to the many-body problem with non-Hermitian Liouvillian in super-Fock space. We transform the Liouvillian to the normal ordered form, introduce nonequilibrium quasiparticles by a set of canonical nonunitary transformations and develop general many-body theory for the electron transport through the interacting region. The approach is applied to the electron transport through a single level. We consider a minimal basis hydrogen atom attached to two metal leads in Coulomb blockade regime (out of equilibrium Anderson model) within the nonequilibrium Hartree–Fock approximation as an example of the system with electron interaction. Our approach agrees with exact results given by the Landauer theory for the considered models.

Item ID: 26203
Item Type: Article (Research - C1)
ISSN: 1089-7690
Date Deposited: 11 Apr 2013 00:40
FoR Codes: 02 PHYSICAL SCIENCES > 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics > 020201 Atomic and Molecular Physics @ 50%
03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030704 Statistical Mechanics in Chemistry @ 50%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970102 Expanding Knowledge in the Physical Sciences @ 100%
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