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Fagas, Giorgos ; Kambili, Agapi ; Elstner, Marcus

Complex-band structure: a method to determine the off-resonant electron transport in oligomers

Fagas, Giorgos , Kambili, Agapi and Elstner, Marcus (2004) Complex-band structure: a method to determine the off-resonant electron transport in oligomers. Chemical Physics Letters 389 (4-6), pp. 268-273.

Date of publication of this fulltext: 05 Aug 2009 13:27
Article
DOI to cite this document: 10.5283/epub.1326


Abstract

We validate that off-resonant electron transport across ultra-short oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a method to determine the damping factor via the energy spectrum of a periodic structure as a function of complex wavevector. An exact mapping to the complex wavevector is demonstrated by first-principle-based ...

We validate that off-resonant electron transport across ultra-short oligomer molecular junctions is characterised by a conductance which decays exponentially with length, and we discuss a method to determine the damping factor via the energy spectrum of a periodic structure as a function of complex wavevector. An exact mapping to the complex wavevector is demonstrated by first-principle-based calculations of: (a) the conductance of molecular junctions of phenyl-ethynylene wires covalently bonded to graphitic ribbons as a function of the bridge length, and (b) the complex-band structure of poly-phenyl-ethynylene. (C) 2004 Elsevier B.V. All rights reserved.



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Details

Item typeArticle
Journal or Publication TitleChemical Physics Letters
Publisher:ELSEVIER SCIENCE BV
Place of Publication:AMSTERDAM
Volume:389
Number of Issue or Book Chapter:4-6
Page Range:pp. 268-273
Date2004
InstitutionsPhysics > Institute of Theroretical Physics
Identification Number
ValueType
10.1016/j.cplett.2004.03.090DOI
KeywordsCURRENT-VOLTAGE CHARACTERISTICS; ATOMIC-FORCE MICROSCOPY; MOLECULAR WIRE; JUNCTIONS; CONDUCTANCE; DEPENDENCE; MONOLAYERS; STATES; LENGTH; CARBON;
Dewey Decimal Classification500 Science > 530 Physics
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
Item ID1326

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