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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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| Item type | Article | ||||
| Journal or Publication Title | Chemical 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 | ||||
| Date | 2004 | ||||
| Institutions | Physics > Institute of Theroretical Physics | ||||
| Identification Number |
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| Keywords | CURRENT-VOLTAGE CHARACTERISTICS; ATOMIC-FORCE MICROSCOPY; MOLECULAR WIRE; JUNCTIONS; CONDUCTANCE; DEPENDENCE; MONOLAYERS; STATES; LENGTH; CARBON; | ||||
| Dewey Decimal Classification | 500 Science > 530 Physics | ||||
| Status | Published | ||||
| Refereed | Yes, this version has been refereed | ||||
| Created at the University of Regensburg | Yes | ||||
| Item ID | 1326 |
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