Jump to main content
Jump to site search

Issue 33, 2013

A parabolic model to control quantum interference in T-shaped molecular junctions

Author affiliations

Abstract

Quantum interference (QI) effects in molecular devices have drawn increasing attention over the past years due to their unique features observed in the conductance spectrum. For the further development of single molecular devices exploiting QI effects, it is of great theoretical and practical interest to develop simple methods controlling the emergence and the positions of QI effects like anti-resonances or Fano line shapes in conductance spectra. In this work, starting from a well-known generic molecular junction with a side group (T-shaped molecule), we propose a simple graphical method to visualize the conditions for the appearance of quantum interference, Fano resonances or anti-resonances, in the conductance spectrum. By introducing a simple graphical representation (parabolic diagram), we can easily visualize the relation between the electronic parameters and the positions of normal resonant peaks and anti-resonant peaks induced by quantum interference in the conductance spectrum. This parabolic model not only can predict the emergence and energetic position of quantum interference from a few electronic parameters but also can enable one to know the coupling between the side group and the main conduction channel from measurements in the case of orthogonal basis. The results obtained within the parabolic model are validated using density-functional based quantum transport calculations in realistic T-shaped molecular junctions.

Graphical abstract: A parabolic model to control quantum interference in T-shaped molecular junctions

Article information


Submitted
18 Dec 2012
Accepted
15 Mar 2013
First published
18 Mar 2013

Phys. Chem. Chem. Phys., 2013,15, 13951-13958
Article type
Paper

A parabolic model to control quantum interference in T-shaped molecular junctions

D. Nozaki, H. Sevinçli, S. M. Avdoshenko, R. Gutierrez and G. Cuniberti, Phys. Chem. Chem. Phys., 2013, 15, 13951 DOI: 10.1039/C3CP44578J

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.


Social activity

Search articles by author

Spotlight

Advertisements