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

DOI to cite this document:: 10.5283/epub.1326

Fagas, Giorgos

; Kambili, Agapi ; Elstner, Marcus

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Date of publication of this fulltext: 05 Aug 2009 13:27

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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 ...