1203.5269 (Daijiro Nozaki et al.)

Control of quantum interference in molecular junctions: Understanding
the origin of Fano and anti- resonances with parabolic diagrams    [PDF]

Daijiro Nozaki, Haldun Sevincli, Stanislav M. Avdoshenko, Rafael Gutierrez, Gianaurelio Cuniberti

The quantum interference effects play a crucial role in molecular electronics and its explicit understanding still remains as a challenge. We device a simple analytic model for transport through molecular junctions with side groups and introduce a graphical explanation to understand the relations between the influential parameters for quantum interference. Conditions for Fano resonance and anti-resonance line shapes in transmission spectra are derived. As a practical example, using the derived conditions, we demonstrate the line shapes (Fano and anti- resonance) in realistic molecules using a DFT-based quantum transport approach.

View original: http://arxiv.org/abs/1203.5269