Molecular spintronics

Destructive quantum interference controlled by a gate

Aldilene Saraiva-Souza, Manuel Smeu, Lei Zhang, Antonio Gomes Souza Filho, Hong Guo, Mark A Ratner

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

The ability to control the spin-transport properties of a molecule bridging conducting electrodes is of paramount importance to molecular spintronics. Quantum interference can play an important role in allowing or forbidding electrons from passing through a system. In this work, the spin-transport properties of a polyacetylene chain bridging zigzag graphene nanoribbons (ZGNRs) are studied with nonequilibrium Greens function calculations performed within the density functional theory framework (NEGF-DFT). ZGNR electrodes have inherent spin polarization along their edges, which causes a splitting between the properties of spin-up and spin-down electrons in these systems. Upon adding an imidazole donor group and a pyridine acceptor group to the polyacetylene chain, this causes destructive interference features in the electron transmission spectrum. Particularly, the donor group causes a large antiresonance dip in transmission at the Fermi energy EF of the electrodes. The application of a gate is investigated and found to provide control over the energy position of this feature making it possible to turn this phenomenon on and off. The current-voltage (I-V) characteristics of this system are also calculated, showing near ohmic scaling for spin-up but negative differential resistance (NDR) for spin-down.

Original languageEnglish
Pages (from-to)15065-15071
Number of pages7
JournalJournal of the American Chemical Society
Volume136
Issue number42
DOIs
Publication statusPublished - Oct 22 2014

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Magnetoelectronics
Polyacetylenes
Nanoribbons
Electrodes
Carbon Nanotubes
Graphite
Electrons
Transport properties
Graphene
Spin polarization
Fermi level
Green's function
Discrete Fourier transforms
Pyridine
Density functional theory
Molecules
Electric potential

ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Molecular spintronics : Destructive quantum interference controlled by a gate. / Saraiva-Souza, Aldilene; Smeu, Manuel; Zhang, Lei; Souza Filho, Antonio Gomes; Guo, Hong; Ratner, Mark A.

In: Journal of the American Chemical Society, Vol. 136, No. 42, 22.10.2014, p. 15065-15071.

Research output: Contribution to journalArticle

Saraiva-Souza, A, Smeu, M, Zhang, L, Souza Filho, AG, Guo, H & Ratner, MA 2014, 'Molecular spintronics: Destructive quantum interference controlled by a gate', Journal of the American Chemical Society, vol. 136, no. 42, pp. 15065-15071. https://doi.org/10.1021/ja508537n
Saraiva-Souza, Aldilene ; Smeu, Manuel ; Zhang, Lei ; Souza Filho, Antonio Gomes ; Guo, Hong ; Ratner, Mark A. / Molecular spintronics : Destructive quantum interference controlled by a gate. In: Journal of the American Chemical Society. 2014 ; Vol. 136, No. 42. pp. 15065-15071.
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