Spin-dependent properties in zigzag graphene nanoribbons with phenyl-edge defects

• Recent outbreaks in bottom-up chemical techniques have demonstrated the synthesis of atomically perfect zigzag graphene nanoribbons (ZGNRs) and of their corresponding analogs with phenyl-edge functionalization [P. Ruffieux et al., Nature 531, 489 (2016)]. Since spin-polarized currents can be generated at the edges of the ZGNRs, the control of phenyl decoration at the zigzag edges could accurately tune the electronic properties of these carbon-based nanoribbons. In the present paper, using first-principles calculations and a Landauer-Buttiker approach, the electronic and magnetic properties as well as the spin-resolved transmissions are investigated in various phenyl-edge-modified ZGNRs. The understanding of the spin-dependent transport properties in relation to the atomic structure opens the way to design devices such as spin valves for future spintronics applications.

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

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