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

Lambert, C. J. (2015) Basic concepts of quantum interference and electron transport in single-molecule electronics. Chemical Society Reviews, 44 (4). pp. 875-888. ISSN 0306-0012

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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.

Item Type:
Journal Article
Journal or Publication Title:
Chemical Society Reviews
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/1600
Subjects:
ID Code:
75433
Deposited By:
Deposited On:
09 Sep 2015 06:33
Refereed?:
Yes
Published?:
Published
Last Modified:
23 Oct 2020 02:57