Control of quantum interference in molecular junctions: Understanding the origin of Fano and anti- resonances

Details Control of quantum interference in molecular junctions: Understanding the origin of Fano and anti- resonances Control of quantum interference in molecular junctions: Understanding the origin of Fano and anti- resonances

2012-03-23

arxiv.org/abs/1203.5269v3

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

4 pages, 5 figures

Scientific paper

We investigate within a coarse-grained model the conditions leading to the appearance of Fano resonances or anti-resonances in the conductance spectrum of a generic molecular junction with a side group (T-junction). By introducing a simple graphical representation (parabolic diagram), we can easily visualize the relation between the different electronic parameters determining the regimes where Fano resonances or anti-resonances in the low-energy conductance spectrum can be expected. The results obtained within the coarse-grained model are validated using density-functional based quantum transport calculations in realistic T-shaped molecular junctions.

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