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Basic concepts of quantum interference and electron transport in single-molecule electronics

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Basic concepts of quantum interference and electron transport in single-molecule electronics. / Lambert, C. J.
In: Chemical Society Reviews, Vol. 44, No. 4, 21.02.2015, p. 875-888.

Research output: Contribution to Journal/MagazineLiterature reviewpeer-review

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Lambert CJ. Basic concepts of quantum interference and electron transport in single-molecule electronics. Chemical Society Reviews. 2015 Feb 21;44(4):875-888. Epub 2014 Sept 26. doi: 10.1039/c4cs00203b

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Bibtex

@article{cb38ffa75bed408c8857021087107c22,
title = "Basic concepts of quantum interference and electron transport in single-molecule electronics",
abstract = "This tutorial outlines the basic theoretical concepts and tools which underpin the fundamentals of phase-coherent electron transport through single molecules. The key quantity of interest is the transmission coefficient T(E), which yields the electrical conductance, current-voltage relations, the thermopower S and the thermoelectric figure of merit ZT of single-molecule devices. Since T(E) is strongly affected by quantum interference (QI), three manifestations of QI in single-molecules are discussed, namely Mach-Zehnder interferometry, Breit-Wigner resonances and Fano resonances. A simple MATLAB code is provided, which allows the novice reader to explore QI in multi-branched structures described by a tight-binding (Huckel) Hamiltonian. More generally, the strengths and limitations of materials-specific transport modelling based on density functional theory are discussed.",
keywords = "ENERGY-LEVEL ALIGNMENT, JUNCTION CONDUCTANCE, WIRES, THERMOELECTRICITY, HETEROJUNCTIONS, TRANSITION, DEPENDENCE, INTERFACES, DEVICES, BRIDGES",
author = "Lambert, {C. J.}",
year = "2015",
month = feb,
day = "21",
doi = "10.1039/c4cs00203b",
language = "English",
volume = "44",
pages = "875--888",
journal = "Chemical Society Reviews",
issn = "0306-0012",
publisher = "American Chemical Society",
number = "4",

}

RIS

TY - JOUR

T1 - Basic concepts of quantum interference and electron transport in single-molecule electronics

AU - Lambert, C. J.

PY - 2015/2/21

Y1 - 2015/2/21

N2 - This tutorial outlines the basic theoretical concepts and tools which underpin the fundamentals of phase-coherent electron transport through single molecules. The key quantity of interest is the transmission coefficient T(E), which yields the electrical conductance, current-voltage relations, the thermopower S and the thermoelectric figure of merit ZT of single-molecule devices. Since T(E) is strongly affected by quantum interference (QI), three manifestations of QI in single-molecules are discussed, namely Mach-Zehnder interferometry, Breit-Wigner resonances and Fano resonances. A simple MATLAB code is provided, which allows the novice reader to explore QI in multi-branched structures described by a tight-binding (Huckel) Hamiltonian. More generally, the strengths and limitations of materials-specific transport modelling based on density functional theory are discussed.

AB - This tutorial outlines the basic theoretical concepts and tools which underpin the fundamentals of phase-coherent electron transport through single molecules. The key quantity of interest is the transmission coefficient T(E), which yields the electrical conductance, current-voltage relations, the thermopower S and the thermoelectric figure of merit ZT of single-molecule devices. Since T(E) is strongly affected by quantum interference (QI), three manifestations of QI in single-molecules are discussed, namely Mach-Zehnder interferometry, Breit-Wigner resonances and Fano resonances. A simple MATLAB code is provided, which allows the novice reader to explore QI in multi-branched structures described by a tight-binding (Huckel) Hamiltonian. More generally, the strengths and limitations of materials-specific transport modelling based on density functional theory are discussed.

KW - ENERGY-LEVEL ALIGNMENT

KW - JUNCTION CONDUCTANCE

KW - WIRES

KW - THERMOELECTRICITY

KW - HETEROJUNCTIONS

KW - TRANSITION

KW - DEPENDENCE

KW - INTERFACES

KW - DEVICES

KW - BRIDGES

U2 - 10.1039/c4cs00203b

DO - 10.1039/c4cs00203b

M3 - Literature review

VL - 44

SP - 875

EP - 888

JO - Chemical Society Reviews

JF - Chemical Society Reviews

SN - 0306-0012

IS - 4

ER -