Master equation based steady-state cluster perturbation theory

Research output: Contribution to journalArticleResearchpeer-review

Abstract

A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation theory. In this work, we improve the starting point of this perturbative, nonequilibrium Green's function based method. Specifically, we employ an improved unperturbed (so-called reference) state textbackslashhattextbackslashrhotextasciicircumS, constructed as the steady-state of a quantum master equation within the Born-Markov approximation. This resulting hybrid method inherits beneficial aspects of both, the quantum master equation as well as the nonequilibrium Green's function technique. We benchmark the new scheme on two experimentally relevant systems in the single-electron transistor regime: An electron-electron interaction based quantum diode and a triple quantum dot ring junction, which both feature negative differential conductance. The results of the new method improve significantly with respect to the plain quantum maste equation treatment at modest additional computational cost.
Original languageEnglish
JournalPhysical Review / B
Volume92
Issue number12
DOIs
Publication statusPublished - 1 Sep 2015

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Green's function
perturbation theory
Single electron transistors
Electron-electron interactions
Green's functions
Semiconductor quantum dots
Heterojunctions
Diodes
single electron transistors
approximation
plains
electron scattering
diodes
quantum dots
costs
Costs
rings
electronics
electrons

Keywords

  • Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Strongly Correlated Electrons

Cite this

Master equation based steady-state cluster perturbation theory. / Nuss, Martin; Dorn, Gerhard; Dorda, Antonius; von der Linden, Wolfgang; Arrigoni, Enrico.

In: Physical Review / B, Vol. 92, No. 12, 01.09.2015.

Research output: Contribution to journalArticleResearchpeer-review

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abstract = "A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation theory. In this work, we improve the starting point of this perturbative, nonequilibrium Green's function based method. Specifically, we employ an improved unperturbed (so-called reference) state textbackslashhattextbackslashrhotextasciicircumS, constructed as the steady-state of a quantum master equation within the Born-Markov approximation. This resulting hybrid method inherits beneficial aspects of both, the quantum master equation as well as the nonequilibrium Green's function technique. We benchmark the new scheme on two experimentally relevant systems in the single-electron transistor regime: An electron-electron interaction based quantum diode and a triple quantum dot ring junction, which both feature negative differential conductance. The results of the new method improve significantly with respect to the plain quantum maste equation treatment at modest additional computational cost.",
keywords = "Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Strongly Correlated Electrons",
author = "Martin Nuss and Gerhard Dorn and Antonius Dorda and {von der Linden}, Wolfgang and Enrico Arrigoni",
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AU - Nuss, Martin

AU - Dorn, Gerhard

AU - Dorda, Antonius

AU - von der Linden, Wolfgang

AU - Arrigoni, Enrico

N1 - arXiv: 1505.01683

PY - 2015/9/1

Y1 - 2015/9/1

N2 - A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation theory. In this work, we improve the starting point of this perturbative, nonequilibrium Green's function based method. Specifically, we employ an improved unperturbed (so-called reference) state textbackslashhattextbackslashrhotextasciicircumS, constructed as the steady-state of a quantum master equation within the Born-Markov approximation. This resulting hybrid method inherits beneficial aspects of both, the quantum master equation as well as the nonequilibrium Green's function technique. We benchmark the new scheme on two experimentally relevant systems in the single-electron transistor regime: An electron-electron interaction based quantum diode and a triple quantum dot ring junction, which both feature negative differential conductance. The results of the new method improve significantly with respect to the plain quantum maste equation treatment at modest additional computational cost.

AB - A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation theory. In this work, we improve the starting point of this perturbative, nonequilibrium Green's function based method. Specifically, we employ an improved unperturbed (so-called reference) state textbackslashhattextbackslashrhotextasciicircumS, constructed as the steady-state of a quantum master equation within the Born-Markov approximation. This resulting hybrid method inherits beneficial aspects of both, the quantum master equation as well as the nonequilibrium Green's function technique. We benchmark the new scheme on two experimentally relevant systems in the single-electron transistor regime: An electron-electron interaction based quantum diode and a triple quantum dot ring junction, which both feature negative differential conductance. The results of the new method improve significantly with respect to the plain quantum maste equation treatment at modest additional computational cost.

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