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Spin-polarized transport properties of Fe atomic chain adsorbed on zigzag graphene nanoribbons

Z L Zhang, Y P Chen, Y E Xie, M Zhang and J X Zhong

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The spin-polarized transport properties of Fe atomic chain adsorbed on zigzag graphene nanoribbons (ZGNRs) are investigated using the density-functional theory in combination with the nonequilibrium Green's function method. We find that the Fe chain has drastic effects on spin-polarized transport properties of ZGNRs compared with a single Fe atom adsorbed on the ZGNRs. When the Fe chain is adsorbed on the centre of the ZGNR, the original semiconductor transforms into metal, showing a very wide range of spin-polarized transport. Particularly, the spin polarization around the Fermi level is up to 100%. This is because the adsorbed Fe chain not only induces many localized states but also has effects on the edge states of ZGNR, which can effectively modulate the spin-polarized transports. The spin polarization of ZGNRs is sensitive to the adsorption site of the Fe chain. When the Fe chain is adsorbed on the edge of ZGNR, the spin degeneracy of conductance is completely broken. The spin polarization is found to be more pronounced because the edge state of one edge is destroyed by the additional Fe chain. These results have direct implications for the control of the spin-dependent conductance in ZGNRs with the adsorption of Fe chains.


PACS

72.25.Ba Spin polarized transport in metals

71.15.Mb Density functional theory, local density approximation, gradient and other corrections

73.20.Fz Weak or Anderson localization

73.63.Bd Nanocrystalline materials

68.43.Bc Ab initio calculations of adsorbate structure and reactions

Subjects

Condensed matter: electrical, magnetic and optical

Surfaces, interfaces and thin films

Nanoscale science and low-D systems

Dates

Issue 21 (1 June 2011)

Received 6 December 2010, in final form 12 April 2011

Published 4 May 2011



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