Large spin-filtering effect in Ti-doped defective zigzag graphene nanoribbon

Abbas, S, Cui, X, Ringer, S and Stampfl, C 2016, 'Large spin-filtering effect in Ti-doped defective zigzag graphene nanoribbon', Physical Chemistry Chemical Physics, vol. 18, no. 24, pp. 16224-16228.

Document type: Journal Article
Collection: Journal Articles

Title Large spin-filtering effect in Ti-doped defective zigzag graphene nanoribbon
Author(s) Abbas, S
Cui, X
Ringer, S
Stampfl, C
Year 2016
Journal name Physical Chemistry Chemical Physics
Volume number 18
Issue number 24
Start page 16224
End page 16228
Total pages 5
Publisher Royal Society of Chemistry
Abstract Through first-principles calculations using the nonequilibrium Green's function formalism together with density functional theory, we study the conductance of double-vacancy zigzag graphene nanoribbons doped with four transition metal atoms Ti, V, Cr and Fe. We show that Ti doping induces large spin-filtering with an efficiency in excess of 90% for bias voltages below 0.5 V, while the other metal adatoms do not induce large spin filtering. This is despite the fact that the Ti dopant possesses small spin moment, while large moments reside on V, Cr and Fe dopants. Our analysis shows that the suppression of transmission in the spin-down channel in the Ti-doped graphene nanoribbon, thus the large spin filtering efficiency, is due to transmission anti-resonance arising from destructive quantum interference. These findings suggest that the decoration of graphene with titanium, and possibly other transition metals, can act as effective spin filters for nanospintronic applications.
Subject Condensed Matter Modelling and Density Functional Theory
Radiation and Matter
Quantum Chemistry
DOI - identifier 10.1039/c6cp01601d
Copyright notice © 2016 the Owner Societies.
ISSN 1463-9076
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