Prediction of quantum interference in molecular junctions using a parabolic diagram: Understanding the origin of Fano and anti- resonances

Publikation: Beitrag in FachzeitschriftKonferenzartikelBeigetragenBegutachtung

Beitragende

Abstract

Recently the interest in quantum interference (QI) phenomena in molecular devices (molecular junctions) has been growing due to the unique features observed in the transmission spectra. In order to design single molecular devices exploiting QI effects as desired, it is necessary to provide simple rules for predicting the appearance of QI effects such as anti-resonances or Fano line shapes and for controlling them. In this study, we derive a transmission function of a generic molecular junction with a side group (T-shaped molecular junction) using a minimal toy model. We developed a simple method to predict the appearance of quantum interference, Fano resonances or anti-resonances, and its position in the conductance spectrum by introducing a simple graphical representation (parabolic model). Using it we can easily visualize the relation between the key electronic parameters and the positions of normal resonant peaks and anti-resonant peaks induced by quantum interference in the conductance spectrum. We also demonstrate Fano and anti-resonance in T-shaped molecular junctions using a simple tight-binding model. This parabolic model enables one to infer on-site energies of T-shaped molecules and the coupling between side group and main conduction channel from transmission spectra.

Details

OriginalspracheEnglisch
Aufsatznummer012013
Seitenumfang9
FachzeitschriftJournal of Physics: Conference Series
Jahrgang427
PublikationsstatusVeröffentlicht - 2013
Peer-Review-StatusJa

Externe IDs

WOS 000317977400013
ORCID /0000-0001-8121-8041/work/145223721

Schlagworte

Schlagwörter

  • Transport