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