IFEG 20353
INSTITUTO DE FISICA ENRIQUE GAVIOLA
Unidad Ejecutora - UE
artículos
Título:
Disorder and dephasing effects on electron transport through conjugated molecular wires in molecular junctions.
Autor/es:
DAIJIRO NOZAKI; CLAUDIA GOMES DA ROCHA; HORACIO M. PASTAWSKI; GIOVANI CUNIBERTI
Revista:
PHYSICAL REVIEW B - SOLID STATE
Editorial:
American Physical Society
Referencias:
Lugar: Ridge; Año: 2012 vol. 85 p. 155327 - 155335
ISSN:
0556-2805
Resumen:
Understanding electron transport processes in molecular wires connected between contacts is a central focus in the field of molecular electronics. Especially, the dephasing effect causing tunneling-to-hopping transition has great importance from both applications and fundamental points of view. We analyzed coherent and incoherent electron transmission through conjugated molecular wires by means of density functional tight-binding theory within the DAmato-Pastawski model. Our approach can study explicitly the structure/transport relationship in molecular junctions in a dephasing environmental condition using only a single dephasing parameter. We investigated the length dependence and the influence of thermal fluctuations on transport and reproduced the well-known tunneling-to-hopping transition. This approach will be a powerful tool for the interpretation of recent conductance measurements of molecular wires.
