Fagas, Giorgos and 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.
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We validate that off-resonant electron transport across 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.
|Institutions:||Physics > Institute of Theroretical Physics > Chair Professor Richter > Group Klaus Richter|
|Subjects:||500 Science > 530 Physics|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Yes|
|Deposited On:||20 Mar 2007|
|Last Modified:||20 Jul 2011 20:54|