Coherently controlled molecular junctions

Peskin, Uri; Galperin, Michael

doi:10.1063/1.3676047

Cited by 33 publications

(56 citation statements)

References 53 publications

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“…In the examples considered, several phenomena such as Rabi oscillations and Fabry-Pérot resonances are observed that are to be expected based on earlier studies using a semiclassical approach. [8][9][10] We also show that the transmission probability depends on the photon polarization. While we employ somewhat arbitrary parameters in the illustrations, the model should nonetheless provide useful approximate descriptions.…”

Section: Discussionmentioning

confidence: 99%

“…We assume one-dimensional contacts whose states are labeled by the wave vector κ L(R) in the left (right) contact, respectively. There are two types of additional terms that have to be added to Hamiltonian equation (9). The first one accounts for the energies of the contact states (ϵ κ L(R) ),…”

Section: Contactsmentioning

confidence: 99%

“…6,7 Coherently controlled molecular junctions, very similar to the systems considered here, have been studied in detail by Peskin, Galperin, and co-workers. [8][9][10][11][12] Also in these examples, the field is described in the conventional semi-classical manner. We adopt an alternative approach that is less frequently employed [2][3][4][5] and in which the electromagnetic field is quantized and then coupled to the system consisting of the molecule and the contacts.…”

Section: Introductionmentioning

confidence: 99%

“…H el,ph in Eq. (9) shows that the photons introduce energy shifts on the diagonal that are proportional to number of photons in the corresponding subspace. Since we can arbitrarily shift the energy, we choose it such that the photon energy of the |(n − 1) ⃗ k,⃗ v ⟩ state is zero.…”

Section: Introduction Of a Finite Tensor-product Basismentioning

confidence: 99%

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Simple model of a coherent molecular photocell

Ernzerhof

Bélanger

Mayou

et al. 2016

The Journal of Chemical Physics

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Articles you may be interested inReuse of AIP Publishing content is subject to the terms: https://publishing.aip.org/authors/rights-and-permissions. Electron transport in molecular electronic devices is often dominated by a coherent mechanism in which the wave function extends from the left contact over the molecule to the right contact. If the device is exposed to light, photon absorption in the molecule might occur, turning the device into a molecular photocell. The photon absorption promotes an electron to higher energy levels and thus modifies the electron transmission probability through the device. A model for such a molecular photocell is presented that minimizes the complexity of the problem while providing a non-trivial description of the device mechanism. In particular, the role of the molecule in the photocell is investigated. It is described within the Hückel method and the source-sink potential approach [F. Goyer, M. Ernzerhof, and M. Zhuang, J. Chem. Phys. 126, 144104 (2007)] is used to eliminate the contacts in favor of complex-valued potentials. Furthermore, the photons are explicitly incorporated into the model through a second-quantized field. This facilitates the description of the photon absorption process with a stationary state calculation, where eigenvalues and eigenvectors are determined. The model developed is applied to various generic molecular photocells. C 2016 AIP Publishing LLC.[http://dx

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Section: Discussionmentioning

confidence: 99%

Section: Contactsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introduction Of a Finite Tensor-product Basismentioning

confidence: 99%

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Simple model of a coherent molecular photocell

Ernzerhof

Bélanger

Mayou

et al. 2016

The Journal of Chemical Physics

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“…Indeed, quantum coherences can significantly affect charge and energy transfers in molecular junctions as discussed theoretically in Refs [55][56][57][58][59][60] and shown experimentally in Refs. [61][62][63][64][65][66] .…”

Section: Introductionmentioning

confidence: 99%

Efficiency fluctuations in quantum thermoelectric devices

2015

Self Cite

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We present a method, based on charaterizing efficiency fluctuations, to asses the performance of nanoscale thermoelectric junctions. This method accounts for effects typically arising in small junctions, namely, stochasticity in the junction's performance, quantum effects, and nonequilibrium features preventing a linear response analysis. It is based on a nonequilibrium Green's function (NEGF) approach, which we use to derive the full counting statistics (FCS) for heat and work, and which in turn allows us to calculate the statistical properties of efficiency fluctuations. We simulate the latter for a variety of simple models where our method is exact. By analyzing the discrepancies with the semi-classical prediction of a quantum master equation (QME) approach, we emphasize the quantum nature of efficiency fluctuations for realistic junction parameters. We finally propose an approximate Gaussian method to express efficiency fluctuations in terms of nonequilibrium currents and noises which are experimentally measurable in molecular junctions.

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Beyond Molecular Conduction: Optical and Thermal Effects in Molecular Junctions

Nitzan¹

2014

Advances in Chemical Physics

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Coherently controlled molecular junctions

Cited by 33 publications

References 53 publications

Simple model of a coherent molecular photocell

Simple model of a coherent molecular photocell

Efficiency fluctuations in quantum thermoelectric devices

Beyond Molecular Conduction: Optical and Thermal Effects in Molecular Junctions

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