Fluctuation-exchange approximation theory of the nonequilibrium singlet-triplet transition

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4 Citations (Scopus)

Abstract

As a continuation of a previous work, here we extend the so-called fluctuation exchange approximation (FLEX) to study the nonequilibrium singlet-triplet transition. We show that, while being relatively fast and a conserving approximation, FLEX is able to recover all important features of the transition, including the evolution of the linear conductance throughout the transition, the two-stage Kondo effect on the triplet side, and the gradual opening of the singlet-triplet gap on the triplet side of the transition. A comparison with numerical renormalization-group calculations also shows that FLEX captures rather well the width of the Kondo resonance. FLEX thus offers a viable route to describe correlated multilevel systems under nonequilibrium conditions, and in its rather general form, as formulated here, it could find a broad application in molecular electronics calculations.

Original languageEnglish
Article number205117
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume84
Issue number20
DOIs
Publication statusPublished - Nov 15 2011

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Approximation theory
Kondo effect
Molecular electronics
approximation
nonequilibrium conditions
molecular electronics
routes

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

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abstract = "As a continuation of a previous work, here we extend the so-called fluctuation exchange approximation (FLEX) to study the nonequilibrium singlet-triplet transition. We show that, while being relatively fast and a conserving approximation, FLEX is able to recover all important features of the transition, including the evolution of the linear conductance throughout the transition, the two-stage Kondo effect on the triplet side, and the gradual opening of the singlet-triplet gap on the triplet side of the transition. A comparison with numerical renormalization-group calculations also shows that FLEX captures rather well the width of the Kondo resonance. FLEX thus offers a viable route to describe correlated multilevel systems under nonequilibrium conditions, and in its rather general form, as formulated here, it could find a broad application in molecular electronics calculations.",
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AU - Horváth, B.

AU - Lazarovits, B.

AU - Zaránd, G.

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AB - As a continuation of a previous work, here we extend the so-called fluctuation exchange approximation (FLEX) to study the nonequilibrium singlet-triplet transition. We show that, while being relatively fast and a conserving approximation, FLEX is able to recover all important features of the transition, including the evolution of the linear conductance throughout the transition, the two-stage Kondo effect on the triplet side, and the gradual opening of the singlet-triplet gap on the triplet side of the transition. A comparison with numerical renormalization-group calculations also shows that FLEX captures rather well the width of the Kondo resonance. FLEX thus offers a viable route to describe correlated multilevel systems under nonequilibrium conditions, and in its rather general form, as formulated here, it could find a broad application in molecular electronics calculations.

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