Phonon runaway in carbon nanotube quantum dots

Siddiqui, L.; Ghosh, Avik W.; Datta, Supriyo

doi:10.1103/physrevb.76.085433

Cited by 66 publications

(76 citation statements)

References 34 publications

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“…[8][9][10][11][12][13]15,16,[22][23][24] In this paper we introduced an approach alternative to the Hubbard operator GF scheme considered for inelastic transport in Ref. 24.…”

Section: Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Transport in molecular states language: Generalized quantum master equation approach

2009

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A simple scheme, capable of treating transport in molecular junctions in the language of many-body states, is presented. By introducing an ansatz in Liouville space, similar to the generalized Kadanoff-Baym approximation, a quantum master equation ͑QME͒-like expression is derived starting from the exact equation of motion for Hubbard operators. Using an effective Liouville space propagation, a dressing similar to the standard diagrammatic one is proposed. The scheme is compared to the standard QME approach and its applicability to transport calculations is discussed.

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“…[8][9][10][11][12][13]15,16,[22][23][24] In this paper we introduced an approach alternative to the Hubbard operator GF scheme considered for inelastic transport in Ref. 24.…”

Section: Discussionmentioning

confidence: 99%

“…Among these approaches, one can mention scattering theory, 7 rate equations, [8][9][10][11][12][13][14] quantum master equations ͑QMEs͒, [15][16][17][18][19][20][21] and the nonequilibrium Green's-function ͑GF͒-based schemes. [22][23][24] Each of these has its own limitations.…”

Section: Introductionmentioning

confidence: 99%

Transport in molecular states language: Generalized quantum master equation approach

2009

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“…58,[67][68][69][70][71][72][73][74][75][76][77][78] However, only very few of them are applicable to the present model. This is because the model involves vibronic coupling to a relatively large number of vibrational modes in nonequilibrium.…”

Section: Fig 2 Time-dependent Current I(t)mentioning

confidence: 99%

“…To this end, a variety of theoretical approaches have been developed and employed, including scattering theory, [50][51][52][53][54][55][56][57] nonequilibrium Green's function approaches, [58][59][60][61][62][63][64][65][66] and master equation methods. 58,[67][68][69][70][71][72][73][74][75][76][77][78] Although much physical insight has been obtained by the application of these methods, all these approaches involve significant approximations. For example, nonequilibrium Green's function (NEGF) methods and master equation approaches are usually based on (self-consistent) perturbation theory and/or employ factorization schemes.…”

Section: Introductionmentioning

confidence: 99%

Numerically exact, time-dependent treatment of vibrationally coupled electron transport in single-molecule junctions

Wang

Pshenichnyuk

Härtle

et al. 2011

The Journal of Chemical Physics

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The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) theory within second quantization representation of the Fock space, a novel numerically exact methodology to treat manybody quantum dynamics for systems containing identical particles, is applied to study the effect of vibrational motion on electron transport in a generic model for single-molecule junctions. The results demonstrate the importance of electronic-vibrational coupling for the transport characteristics. For situations where the energy of the bridge state is located close to the Fermi energy, the simulations show the time-dependent formation of a polaron state that results in a pronounced suppression of the current corresponding to the phenomenon of phonon blockade. We show that this phenomenon cannot be explained solely by the polaron shift of the energy but requires methods that incorporate the dynamical effect of the vibrations on the transport. The accurate results obtained with the ML-MCTDH in this parameter regime are compared to results of nonequilibrium Green's function theory.

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“…Our paper is thus a concrete attempt towards CI based transport in the sequential tunneling regime [19], [40] and neglects effects of electron-phonon interactions. These interactions could technically be included within the same framework [17], [18] as already noted. This paper is organized as follows: we begin by defining an appropriate many-body Hamiltonian for benzene whose parameters are benchmarked based on well-established mean-field techniques.…”

Section: Introductionmentioning

confidence: 99%

Theory of High Bias Coulomb Blockade in Ultrashort Molecules

Muralidharan

Ghosh

Pati

et al. 2007

IEEE Trans. Nanotechnology

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Abstract-We point out that single electron charging effects such as coulomb blockade (CB) and high-bias staircases play a crucial role in transport through single ultrashort molecules. A treatment of CB through a prototypical molecule, benzene, is developed using a master-equation in its complete many-electron Fock space, evaluated through exact diagonalization or full configuration interaction (CI). This approach can explain a whole class of nontrivial experimental features including vanishing zero bias conductances, sharp current onsets followed by ohmic current rises, and gateable current levels and conductance structures, most of which cannot be captured even qualitatively within the traditional self-consistent field (SCF) approach coupled with perturbative transport theories. By comparing the two approaches, namely SCF and CB, in the limit of weak coupling to the electrode, we establish that the inclusion of strong correlations within the molecule becomes critical in addressing the above experiments. Our approach includes on-bridge correlations fully, and is therefore well-suited for describing transport through short molecules in the limit of weak coupling to electrodes.

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Phonon runaway in carbon nanotube quantum dots

Cited by 66 publications

References 34 publications

Transport in molecular states language: Generalized quantum master equation approach

Transport in molecular states language: Generalized quantum master equation approach

Numerically exact, time-dependent treatment of vibrationally coupled electron transport in single-molecule junctions

Theory of High Bias Coulomb Blockade in Ultrashort Molecules

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