Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach?
Data(s) |
07/06/2006
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Resumo |
A dynamical method for simulating steady-state conduction in atomic and molecular wires is presented which is both computationally and conceptually simple. The method is tested by calculating the current-voltage spectrum of a simple diatomic molecular junction, for which the static Landauer approach produces multiple steady-state solutions. The dynamical method quantitatively reproduces the static results and provides information on the stability of the different solutions. (c) 2006 American Institute of Physics. |
Identificador |
http://dx.doi.org/10.1063/1.2202329 http://www.scopus.com/inward/record.url?scp=34547649472&partnerID=8YFLogxK |
Idioma(s) |
eng |
Direitos |
info:eu-repo/semantics/restrictedAccess |
Fonte |
Sanchez , C G , Stamenova , M , Sanvito , S , Bowler , D R , Horsfield , A P & Todorov , T 2006 , ' Molecular conduction: Do time-dependent simulations tell you more than the Landauer approach? ' Journal of Chemical Physics , vol 124 , no. 21 , 214708 , pp. 214708-214708 . DOI: 10.1063/1.2202329 |
Palavras-Chave | #/dk/atira/pure/subjectarea/asjc/3100/3107 #Atomic and Molecular Physics, and Optics |
Tipo |
article |